(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid
058f17ed-c570-4c7e-8db2-91a2f9a20738
Identity
- Substance
- fo-7248b5cd61c61b9b Neutral molecule
- Source
- EF 3.1
- Unit
- kg
- Context
- Environmental → Air → Ground level → Urban (>1000 people/square mile)
- CAS
- 69901-75-3
- EC
- 478-210-0
Context
- Dimension
- Environmental
- Media
- Air
- Population density
- Urban (>1000 people/square mile)
- Strata
- Ground level
Alternative labels
5- (2S)-2-Cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid
- (S)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylaceticacid
- (αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid
- Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (S)-
- Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αS)-
Source lists
1| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| EF | 3.1 | 058f17ed-c570-4c7e-8db2-91a2f9a20738 | (2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid | The consensus list is built from this one, so this row is the flow itself rather than something matched to it. |
Concept associations
1| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| EF 3.1 | 058f17ed-c570-4c7e-8db2-91a2f9a20738 | (2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid | Emissions/Emissions to air/Emissions to urban air close to ground | exactMatch | — |
Characterisation factors
8- consensus-flow-list 4
- European Commission — JRC 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater | — | 4.5996 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater | — | 4.5996 | sole |
| EF 3.1 | European Commission — JRC | Ecotoxicity, freshwater_organics | — | 4.5996 | — |
| EF 3.1 | consensus-flow-list | Ecotoxicity, freshwater_organics | — | 4.5996 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer | — | 1.1471e-06 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer | — | 1.1471e-06 | sole |
| EF 3.1 | European Commission — JRC | Human toxicity, non-cancer_organics | — | 1.1471e-06 | — |
| EF 3.1 | consensus-flow-list | Human toxicity, non-cancer_organics | — | 1.1471e-06 | sole |
History
The change log and the PROV-O trail (2 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"altLabel": [
{
"@value": "(2S)-2-Cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69901-75-3",
"https://commonchemistry.cas.org/detail?cas_rn=69901-75-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(S)-2-(((Benzyloxy)carbonyl)amino)-2-cyclohexylaceticacid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69901-75-3",
"https://commonchemistry.cas.org/detail?cas_rn=69901-75-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(αS)-α-[[(Phenylmethoxy)carbonyl]amino]cyclohexaneacetic acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69901-75-3",
"https://commonchemistry.cas.org/detail?cas_rn=69901-75-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (S)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69901-75-3",
"https://commonchemistry.cas.org/detail?cas_rn=69901-75-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cyclohexaneacetic acid, α-[[(phenylmethoxy)carbonyl]amino]-, (αS)-",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:69901-75-3",
"https://commonchemistry.cas.org/detail?cas_rn=69901-75-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H21NO4"
],
"attested_by": {
"C16H21NO4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"CUSYTUPJAYLNFQ-AWEZNQCLSA-N"
],
"attested_by": {
"CUSYTUPJAYLNFQ-AWEZNQCLSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"O=C(NC(C(=O)O)C1CCCCC1)OCc1ccccc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
]
},
{
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
],
"prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
}
],
"attested_by": {
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m0/s1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
]
}
],
"attested_by": {
"InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m0/s1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid"
]
},
"attested_by": {
"(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
291.347
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCC(CC1)C(C(=O)O)NC(=O)OCC2=CC=CC=C2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
]
}
],
"attested_by": {
"291.347": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
291.147058
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1CCC(CC1)C(C(=O)O)NC(=O)OCC2=CC=CC=C2"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
]
}
],
"attested_by": {
"291.147058": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/isomeric_smiles_string": {
"rdfs:label": "isomeric smiles string",
"@value": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"O=C(N[C@H](C(=O)O)C1CCCCC1)OCc1ccccc1"
]
},
{
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "smiles_string"
}
]
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.538.208K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812;CAS:69901-75-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[69901-75-3]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.105.178",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812;CAS:69901-75-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[69901-75-3]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=69901-75-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812;CAS:69901-75-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[69901-75-3]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID80585042",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812;CAS:69901-75-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[69901-75-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/16218812",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812;CAS:69901-75-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[69901-75-3]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5306586",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812;CAS:69901-75-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[69901-75-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q72516131",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:16218812;CAS:69901-75-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[69901-75-3]"
}
}
],
"prefLabel": [
{
"@value": "(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic Acid",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://www.w3.org/2004/02/skos/core#definition": [],
"uuid": "058f17ed-c570-4c7e-8db2-91a2f9a20738",
"identifier": "058f17ed-c570-4c7e-8db2-91a2f9a20738",
"source": "EF 3.1",
"cas_numbers": [
"69901-75-3"
],
"ec_numbers": [
"478-210-0"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Ground level",
"population_density": "Urban (>1000 people/square mile)"
},
"synonyms": [],
"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": 4.5996
},
{
"method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
"name": "Human toxicity, non-cancer",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 1.1471e-6
},
{
"method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
"name": "Human toxicity, non-cancer_organics",
"methodology": "Environmental Footprint",
"impact_category": "Non-cancer human health effects",
"impact_indicator": "Comparative Toxic Unit for human (CTUh)",
"characterization_factor": 1.1471e-6
},
{
"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": 4.5996
}
],
"unit": "kg",
"input_datasets": [
"EF 3.1"
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-7248b5cd61c61b9b",
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ef/3.1/flow/058f17ed-c570-4c7e-8db2-91a2f9a20738",
"skos:prefLabel": "(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid",
"context": "Emissions/Emissions to air/Emissions to urban air close to ground",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/058f17ed-c570-4c7e-8db2-91a2f9a20738"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/058f17ed-c570-4c7e-8db2-91a2f9a20738"
},
"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"
]
}
}
],
"_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": "link_flows_to_their_substance",
"skos_definition": "enrich_references",
"references": "enrich_references",
"altLabel": "dedupe_altlabels",
"cas_match_labels": "consensus_match",
"concept_associations": "carry_associations_onto_flows",
"types": "link_flows_to_their_substance"
},
"cas_match_labels": {
"69901-75-3": "exactMatch"
},
"_transformed": true,
"_provided": {
"name": "(2s)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid",
"synonyms": [
"organic",
"vrt-126016"
],
"context": [
"Emissions",
"Emissions to air",
"Emissions to urban air close to ground"
],
"cas_numbers": [
"69901-75-3"
],
"ec_numbers": [
"478-210-0"
],
"unit": "kg"
}
}
Something wrong here?
A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.
- A row from my list should not reach this flow
- This flow is not that chemical
- The compartment or the unit is wrong
- One of these characterisation factors cannot be this substance's
You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works