Octadecanoic Acid, 12-hydroxy-, 2,3-dihydroxypropyl Ester

← Back to consensus flows

Octadecanoic Acid, 12-hydroxy-, 2,3-dihydroxypropyl Ester

UUID 2256de58-529f-4b0f-9de3-880cba0125e1

Deprecated yes

Replaced By 29149edf-dc92-4c03-8b07-a1d8a5431a92

Flow Object ID fo-b1370d826497354c

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 6284-43-1

EC Numbers 228-507-4

prefLabel

Language	Value	Provenance
`en`	`Octadecanoic Acid, 12-hydroxy-, 2,3-dihydroxypropyl Ester`

altLabel ⓘ

Language	Value	Provenance
`en`	`2,3-Dihydroxypropyl 12-hydroxyoctadecanoate`
`en`	`Glycerol, 1-(12-hydroxyoctadecanoate)`
`en`	`NSC 7399`

References

Shared Properties

Predicate	Value
InChIKey	`QRWWBCMWCSTAOJ-UHFFFAOYSA-N, RVNAQNUKCZKJCP-UHFFFAOYSA-N`
InChI	`InChI=1S/C20H20N4O3/c1-23-17(21)16(19(26)24(2)20(23)27)22-18(25)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,21H2,1-2H3,(H,22,25), InChI=1S/C21H42O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h19-20,22-24H,2-18H2,1H3`
IUPAC name	12-hydroxyoctadecanoic acid 2,3-dihydroxypropyl ester, 12-hydroxystearic acid glyceryl ester, 2,3-bis(oxidanyl)propyl 12-oxidanyloctadecanoate, 2,3-dihydroxypropyl 12-hydroxyoctadecanoate, N-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2,2-diphenylacetamide, N-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2,2-diphenyl-acetamide, N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2,2-diphenylacetamide, N-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2,2-diphenyl-acetamide, N-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2,2-diphenyl-ethanamide
Molecular formula	`C20H20N4O3, C21H42O5`
SMILES	`CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)O)O, CN1C(=C(C(=O)N(C1=O)C)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`2256de58-529f-4b0f-9de3-880cba0125e1`	octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester

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=octadecanoicacid,12-hydroxy-,2,3-dihydroxypropylester\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=6284-43-1; added Common Chemistry CAS names as altLabel: 2,3-Dihydroxypropyl 12-hydroxyoctadecanoate, Glycerol, 1-(12-hydroxyoctadecanoate), NSC 7399; object_uuid=fo-b1370d826497354c
`cas_match_labels`	1	`—`	consensus_match	group_key=octadecanoicacid,12-hydroxy-,2,3-dihydroxypropylester\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6284-43-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1370d826497354c: {'6284-43-1': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2,3-Dihydroxypropyl 12-hydroxyoctadecanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6284-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=6284-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycerol, 1-(12-hydroxyoctadecanoate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6284-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=6284-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 7399', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:6284-43-1', 'https://commonchemistry.cas.org/detail?cas_rn=6284-43-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=octadecanoicacid,12-hydroxy-,2,3-dihydroxypropylester\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=6284-43-1; added Common Chemistry CAS names as altLabel: 2,3-Dihydroxypropyl 12-hydroxyoctadecanoate, Glycerol, 1-(12-hydroxyoctadecanoate), NSC 7399; object_uuid=fo-b1370d826497354c
`cas_match_labels`	`None`	`{'6284-43-1': 'exactMatch'}`	group_key=octadecanoicacid,12-hydroxy-,2,3-dihydroxypropylester\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'6284-43-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b1370d826497354c: {'6284-43-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "2256de58-529f-4b0f-9de3-880cba0125e1",
  "name": null,
  "cas_numbers": [
    "6284-43-1"
  ],
  "ec_numbers": [
    "228-507-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "2256de58-529f-4b0f-9de3-880cba0125e1",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "2256de58-529f-4b0f-9de3-880cba0125e1",
      "source_flow_name": "octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester",
      "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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Octadecanoic Acid, 12-hydroxy-, 2,3-dihydroxypropyl Ester",
      "@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-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C20H20N4O3",
        "C21H42O5"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408",
          "CID:225190"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "QRWWBCMWCSTAOJ-UHFFFAOYSA-N",
        "RVNAQNUKCZKJCP-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408",
          "CID:225190"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)O)O",
        "CN1C(=C(C(=O)N(C1=O)C)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)N"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408",
          "CID:225190"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C20H20N4O3/c1-23-17(21)16(19(26)24(2)20(23)27)22-18(25)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,21H2,1-2H3,(H,22,25)",
        "InChI=1S/C21H42O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h19-20,22-24H,2-18H2,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408",
          "CID:225190"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "12-hydroxyoctadecanoic acid 2,3-dihydroxypropyl ester",
        "12-hydroxystearic acid glyceryl ester",
        "2,3-bis(oxidanyl)propyl 12-oxidanyloctadecanoate",
        "2,3-dihydroxypropyl 12-hydroxyoctadecanoate",
        "N-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2,2-diphenylacetamide",
        "N-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2,2-diphenyl-acetamide",
        "N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2,2-diphenylacetamide",
        "N-(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)-2,2-diphenyl-acetamide",
        "N-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2,2-diphenyl-ethanamide"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408",
          "CID:225190"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J206.845A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.025.917",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=6284-43-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "6284-43-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00884246",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70969271",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225190;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14327",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225190;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7399",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X84XWP4TOC",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/225190",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225190;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6284-43-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/95408",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[6284-43-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82862950",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95408;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82952268",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:225190;CAS:6284-43-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[6284-43-1]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,3-Dihydroxypropyl 12-hydroxyoctadecanoate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6284-43-1",
          "https://commonchemistry.cas.org/detail?cas_rn=6284-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycerol, 1-(12-hydroxyoctadecanoate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6284-43-1",
          "https://commonchemistry.cas.org/detail?cas_rn=6284-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "NSC 7399",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:6284-43-1",
          "https://commonchemistry.cas.org/detail?cas_rn=6284-43-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "6284-43-1": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:29149edf-dc92-4c03-8b07-a1d8a5431a92",
  "is_replaced_by_uuid": "29149edf-dc92-4c03-8b07-a1d8a5431a92",
  "flow_object_id": "fo-b1370d826497354c"
}