← Back to consensus flows

6-phenylcaproic Acid

UUID 59f7bd71-9440-4f06-83c2-3416ee30dd89
Deprecated yes
Replaced By 90649a81-1be6-4fbe-89d4-a44c45de9070
Flow Object IDfo-189ec9790196cdc2
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 5581-75-9
EC Numbers 622-564-2
prefLabel
Language Value Provenance
en 6-phenylcaproic Acid
References
Shared Properties
Predicate Value
InChIKey AOJSHUFFESHCRA-UHFFFAOYSA-N, JTXZPQIXIXYMDY-UHFFFAOYSA-M, JTXZPQIXIXYMDY-UHFFFAOYSA-N
InChI InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14), InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)/p-1, InChI=1S/C6H6ClO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
IUPAC name (2-chlorophenyl)phosphonic acid, 6-phenylhexanoate, 6-phenylhexanoic acid
Molecular formula C12H15O2-, C12H16O2, C6H6ClO3P
SMILES C1=CC=C(C(=C1)P(=O)(O)O)Cl, C1=CC=C(C=C1)CCCCCC(=O)O, C1=CC=C(C=C1)CCCCCC(=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 59f7bd71-9440-4f06-83c2-3416ee30dd89 6-phenylcaproic acid

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
cas_match_labels 1 — consensus_match group_key=6-phenylcaproicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'5581-75-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-189ec9790196cdc2: {'5581-75-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
cas_match_labels None {'5581-75-9': 'exactMatch'} group_key=6-phenylcaproicacid||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'5581-75-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-189ec9790196cdc2: {'5581-75-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "59f7bd71-9440-4f06-83c2-3416ee30dd89",
  "name": null,
  "cas_numbers": [
    "5581-75-9"
  ],
  "ec_numbers": [
    "622-564-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "59f7bd71-9440-4f06-83c2-3416ee30dd89",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "59f7bd71-9440-4f06-83c2-3416ee30dd89",
      "source_flow_name": "6-phenylcaproic 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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "6-phenylcaproic 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",
    "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": [
        "C12H15O2-",
        "C12H16O2",
        "C6H6ClO3P"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695",
          "CID:95012",
          "CID:6992608"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "AOJSHUFFESHCRA-UHFFFAOYSA-N",
        "JTXZPQIXIXYMDY-UHFFFAOYSA-M",
        "JTXZPQIXIXYMDY-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695",
          "CID:95012",
          "CID:6992608"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC=C(C(=C1)P(=O)(O)O)Cl",
        "C1=CC=C(C=C1)CCCCCC(=O)O",
        "C1=CC=C(C=C1)CCCCCC(=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695",
          "CID:95012",
          "CID:6992608"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)",
        "InChI=1S/C12H16O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,14)/p-1",
        "InChI=1S/C6H6ClO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695",
          "CID:95012",
          "CID:6992608"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2-chlorophenyl)phosphonic acid",
        "6-phenylhexanoate",
        "6-phenylhexanoic acid"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695",
          "CID:95012",
          "CID:6992608"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J135.739E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95012;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.082E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.151.314",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5581-75-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "5581-75-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID50202678",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95012;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID90204398",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=13561",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95012;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66179",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/43U2R7T4EC",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WF2MK2H74D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95012;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/6992608",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:6992608;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5581-75-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/79695",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5581-75-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/95012",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95012;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5581-75-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27258669",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79695;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83075991",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:95012;CAS:5581-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[5581-75-9]"
      }
    }
  ],
  "cas_match_labels": {
    "5581-75-9": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:90649a81-1be6-4fbe-89d4-a44c45de9070",
  "is_replaced_by_uuid": "90649a81-1be6-4fbe-89d4-a44c45de9070",
  "flow_object_id": "fo-189ec9790196cdc2"
}