← Back to consensus flows

(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic Acid

UUID a9e7a076-b2c0-41e7-ae5d-94aeaa0f66f4
Flow Object IDfo-7f0cb00a2aed765e
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 361442-00-4
EC Numbers 700-361-0
prefLabel
Language Value Provenance
en (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic Acid
altLabel ⓘ
Language Value Provenance
en (2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid
en (2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid
en (α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid
en (α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid
en Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-
References
Shared Properties
Predicate Value
InChIKey GOXQVVSSDLNXOE-UHFFFAOYSA-N, OQRFEPBOIOWXRJ-UHFFFAOYSA-N, QQKXRLIEJAQMAO-HJRZXNCOSA-N, UKCKDSNFBFHSHC-BSVBHRQSSA-N, UKCKDSNFBFHSHC-JGCLWBMSSA-N, UKCKDSNFBFHSHC-KHNNNQPQSA-N, UKCKDSNFBFHSHC-UHFFFAOYSA-N, UKCKDSNFBFHSHC-ZEJPWUNMSA-N
InChI InChI=1S/C17H27NO5/c1-15(2,3)23-14(20)18-9-13(19)22-17-7-11-4-12(8-17)6-16(21,5-11)10-17/h11-12,21H,4-10H2,1-3H3,(H,18,20), InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18(9-13(19)20)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-12,22H,4-10H2,1-3H3,(H,19,20), InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20), InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+,12-,16?,17?/m0/s1, InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+,12-,16?,17?/m1/s1, InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m0/s1, InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1, InChI=1S/C18H29NO5/c1-16(2,3)24-15(22)19-13(5-14(20)21)17-6-11-4-12(7-17)9-18(23,8-11)10-17/h11-13,23H,4-10H2,1-3H3,(H,19,22)(H,20,21)/t11?,12?,13-,17?,18?/m1/s1
IUPAC name (2R)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (2R)-2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, (2R)-2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid, (2R)-2-(tert-butoxycarbonylamino)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoic acid, (2R)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (2R)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, (2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (2S)-2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, (2S)-2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid, (2S)-2-(tert-butoxycarbonylamino)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoic acid, (2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, (2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, (3-hydroxy-1-adamantyl) 2-(tert-butoxycarbonylamino)acetate, (3-hydroxy-1-adamantyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate, (3-oxidanyl-1-adamantyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate, (3R)-3-(3-hydroxy-1-adamantyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (3R)-3-(3-hydroxy-1-adamantyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (3R)-3-(tert-butoxycarbonylamino)-3-(3-hydroxy-1-adamantyl)propanoic acid, (3R)-3-(tert-butoxycarbonylamino)-3-(3-hydroxy-1-adamantyl)propionic acid, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanyl-1-adamantyl)propanoic acid, 2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, 2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, 2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid, 2-(tert-butoxycarbonylamino)acetic acid (3-hydroxy-1-adamantyl) ester, 2-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanyl-1-adamantyl)amino]ethanoic acid, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid, 2-[(3-hydroxy-1-adamantyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, 2-[(3-hydroxy-1-adamantyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid, 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid (3-hydroxy-1-adamantyl) ester, 2-[tert-butoxycarbonyl-(3-hydroxy-1-adamantyl)amino]acetic acid
Molecular formula C17H27NO5, C18H29NO5
SMILES CC(C)(C)OC(=O)N(CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)NC(CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)NCC(=O)OC12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@H](C(=O)O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O, CC(C)(C)OC(=O)N[C@H](CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a9e7a076-b2c0-41e7-ae5d-94aeaa0f66f4 (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic acid Emissions/Emissions to air/Emissions to non-urban air or from high stacks kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)aceticacid||dimension=Environmental > media=Air > indoor=Unknown; cas=361442-00-4; added Common Chemistry CAS names as altLabel: (2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid, (2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid, (α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, (α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-; object_uuid=fo-7f0cb00a2aed765e
cas_match_labels 1 — consensus_match group_key=(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)aceticacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'361442-00-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f0cb00a2aed765e: {'361442-00-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:361442-00-4', 'https://commonchemistry.cas.org/detail?cas_rn=361442-00-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)aceticacid||dimension=Environmental > media=Air > indoor=Unknown; cas=361442-00-4; added Common Chemistry CAS names as altLabel: (2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid, (2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid, (α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, (α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-; object_uuid=fo-7f0cb00a2aed765e
cas_match_labels None {'361442-00-4': 'exactMatch'} group_key=(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)aceticacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'361442-00-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f0cb00a2aed765e: {'361442-00-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "a9e7a076-b2c0-41e7-ae5d-94aeaa0f66f4",
  "name": null,
  "cas_numbers": [
    "361442-00-4"
  ],
  "ec_numbers": [
    "700-361-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "High stack, >150 meters"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 249.99
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 249.99
    }
  ],
  "source": "EF 3.1",
  "identifier": "a9e7a076-b2c0-41e7-ae5d-94aeaa0f66f4",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "a9e7a076-b2c0-41e7-ae5d-94aeaa0f66f4",
      "source_flow_name": "(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic acid",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to non-urban air or from high stacks"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic Acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-hist15me",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H27NO5",
        "C18H29NO5"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340",
          "CID:11723843",
          "CID:23596413",
          "CID:51358604",
          "CID:53312468",
          "CID:60146080",
          "CID:66832283",
          "CID:73014256"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GOXQVVSSDLNXOE-UHFFFAOYSA-N",
        "OQRFEPBOIOWXRJ-UHFFFAOYSA-N",
        "QQKXRLIEJAQMAO-HJRZXNCOSA-N",
        "UKCKDSNFBFHSHC-BSVBHRQSSA-N",
        "UKCKDSNFBFHSHC-JGCLWBMSSA-N",
        "UKCKDSNFBFHSHC-KHNNNQPQSA-N",
        "UKCKDSNFBFHSHC-UHFFFAOYSA-N",
        "UKCKDSNFBFHSHC-ZEJPWUNMSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340",
          "CID:11723843",
          "CID:23596413",
          "CID:51358604",
          "CID:53312468",
          "CID:60146080",
          "CID:66832283",
          "CID:73014256"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)OC(=O)N(CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)NC(CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)NCC(=O)OC12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3CC(C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)N[C@H](C(=O)O)C12C[C@H]3C[C@@H](C1)CC(C3)(C2)O",
        "CC(C)(C)OC(=O)N[C@H](CC(=O)O)C12CC3CC(C1)CC(C3)(C2)O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340",
          "CID:11723843",
          "CID:23596413",
          "CID:51358604",
          "CID:53312468",
          "CID:60146080",
          "CID:66832283",
          "CID:73014256"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(20)18-9-13(19)22-17-7-11-4-12(8-17)6-16(21,5-11)10-17/h11-12,21H,4-10H2,1-3H3,(H,18,20)",
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18(9-13(19)20)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-12,22H,4-10H2,1-3H3,(H,19,20)",
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)",
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+,12-,16?,17?/m0/s1",
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10-,11+,12-,16?,17?/m1/s1",
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m0/s1",
        "InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1",
        "InChI=1S/C18H29NO5/c1-16(2,3)24-15(22)19-13(5-14(20)21)17-6-11-4-12(7-17)9-18(23,8-11)10-17/h11-13,23H,4-10H2,1-3H3,(H,19,22)(H,20,21)/t11?,12?,13-,17?,18?/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340",
          "CID:11723843",
          "CID:23596413",
          "CID:51358604",
          "CID:53312468",
          "CID:60146080",
          "CID:66832283",
          "CID:73014256"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2R)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid",
        "(2R)-2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid",
        "(2R)-2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid",
        "(2R)-2-(tert-butoxycarbonylamino)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid",
        "(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid",
        "(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoic acid",
        "(2R)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid",
        "(2R)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid",
        "(2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid",
        "(2S)-2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid",
        "(2S)-2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid",
        "(2S)-2-(tert-butoxycarbonylamino)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid",
        "(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid",
        "(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoic acid",
        "(2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid",
        "(2S)-2-[(5S,7R)-3-hydroxy-1-adamantyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid",
        "(3-hydroxy-1-adamantyl) 2-(tert-butoxycarbonylamino)acetate",
        "(3-hydroxy-1-adamantyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate",
        "(3-oxidanyl-1-adamantyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate",
        "(3R)-3-(3-hydroxy-1-adamantyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid",
        "(3R)-3-(3-hydroxy-1-adamantyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid",
        "(3R)-3-(tert-butoxycarbonylamino)-3-(3-hydroxy-1-adamantyl)propanoic acid",
        "(3R)-3-(tert-butoxycarbonylamino)-3-(3-hydroxy-1-adamantyl)propionic acid",
        "(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanyl-1-adamantyl)propanoic acid",
        "2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid",
        "2-(3-hydroxy-1-adamantyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid",
        "2-(tert-butoxycarbonylamino)-2-(3-hydroxy-1-adamantyl)acetic acid",
        "2-(tert-butoxycarbonylamino)acetic acid (3-hydroxy-1-adamantyl) ester",
        "2-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanyl-1-adamantyl)amino]ethanoic acid",
        "2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(3-oxidanyl-1-adamantyl)ethanoic acid",
        "2-[(3-hydroxy-1-adamantyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid",
        "2-[(3-hydroxy-1-adamantyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid",
        "2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid (3-hydroxy-1-adamantyl) ester",
        "2-[tert-butoxycarbonyl-(3-hydroxy-1-adamantyl)amino]acetic acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340",
          "CID:11723843",
          "CID:23596413",
          "CID:51358604",
          "CID:53312468",
          "CID:60146080",
          "CID:66832283",
          "CID:73014256"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.484.875B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.609.193B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:60146080;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.148.876",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=361442-00-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11723843;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=709031-31-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23596413;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID101123074",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23596413;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID60957561",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11723843;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TB6M453LHA",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11723843;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11267340",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[361442-00-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11723843",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11723843;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[361442-00-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/23596413",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23596413;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[361442-00-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/51358604",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:51358604;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[361442-00-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/53312468",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:53312468;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[361442-00-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/60146080",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:60146080;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[361442-00-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/66832283",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:66832283;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[361442-00-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/73014256",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73014256;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[361442-00-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126676671",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:23596413;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72449526",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11267340;CAS:361442-00-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[361442-00-4]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2<em>S</em>)-[(<em>tert</em>-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decan-1-yl)ethanoic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:361442-00-4",
          "https://commonchemistry.cas.org/detail?cas_rn=361442-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(2S)-2-((<em>tert</em>-Butoxycarbonyl)amino)-2-(3-hydroxyadamantan-1-yl)aceticacid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:361442-00-4",
          "https://commonchemistry.cas.org/detail?cas_rn=361442-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(α<em>S</em>)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:361442-00-4",
          "https://commonchemistry.cas.org/detail?cas_rn=361442-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(α<em>S</em>)-α[[(1,1-Dimethylethoxy)carbonyl]amino]-3-hydroxytricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:361442-00-4",
          "https://commonchemistry.cas.org/detail?cas_rn=361442-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tricyclo[3.3.1.1<sup>3,7</sup>]decane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (α<em>S</em>)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:361442-00-4",
          "https://commonchemistry.cas.org/detail?cas_rn=361442-00-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "361442-00-4": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/a9e7a076-b2c0-41e7-ae5d-94aeaa0f66f4",
        "skos:prefLabel": "(2s)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic acid",
        "context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/a9e7a076-b2c0-41e7-ae5d-94aeaa0f66f4"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-7f0cb00a2aed765e"
}