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7-Ketolithocholic acid

UUID 069eb1da-b060-4927-8720-0bb156f79139
Flow Object IDfo-360630725f8ed4a0
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 4651-67-6
EC Numbers 225-083-2
prefLabel
Language Value Provenance
en 7-Ketolithocholic acid
altLabel ⓘ
Language Value Provenance
en (3alpha,5beta)-3-hydroxy-7-oxocholan-24-oic acid
en 3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid
en 3alpha-Hydroxy-7-oxo-5beta-cholanic acid
en 3alpha-hydroxy-7-oxo-5beta-cholan-24-oic acid
en 7-oxo-3alpha-hydroxycholan-24-oic acid
en 7-oxolithocholic acid
en Nutriacholic acid
en (3α,5β)-3-Hydroxy-7-oxocholan-24-oic acid
en 3α-Hydroxy-7-<em>keto</em>-5β-cholan-24-oic acid
en 3α-Hydroxy-7-<em>keto</em>-5β-cholanic acid
en 3α-Hydroxy-7-oxo-5β-cholan-24-oic acid
en 3α-Hydroxy-7-oxo-5β-cholanic acid
en 3α-Hydroxy-7-oxo-5β-cholanoic acid
en 3α-Hydroxy-7-oxo-5β-cholic acid
en 5β-Cholan-24-oic acid, 3α-hydroxy-7-oxo-
en 5β-Cholanic acid, 3α-hydroxy-7-oxo-
en 5β-Cholanic acid-3α-ol-7-one
en 7-<em>keto</em>-Lithocholic acid
en 7-Ketochenodeoxycholic acid
en 7-Oxo-3α-hydroxycholan-24-oic acid
en 7K-LCA
en <em>keto</em>-Lithocholic acid
en Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α,5β)-
en NSC 226118
en 3-hydroxy-7-oxocholan-24-oic Acid
Definitions
Language Value Provenance
en A bile acid that is lithocholic acid carrying an additional oxo substituent at position 7.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey DXOCDBGWDZAYRQ-AURDAFMXSA-N
InChI InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1
IUPAC name (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-7-oxidanylidene-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid, (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid, (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-7-keto-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid
Molecular formula C24H38O4
Molecular mass 390.564
Monoisotopic mass 390.27701
SMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C, C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C, [H][C@]12CC(=O)[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 069eb1da-b060-4927-8720-0bb156f79139 3-hydroxy-7-oxocholan-24-oic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-hydroxy-7-oxocholan-24-oic acid Emissions/Emissions to air/Emissions to air, unspecified 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=3-hydroxy-7-oxocholan-24-oicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=4651-67-6; added Common Chemistry CAS names as altLabel: (3α,5β)-3-Hydroxy-7-oxocholan-24-oic acid, 3α-Hydroxy-7-<em>keto</em>-5β-cholan-24-oic acid, 3α-Hydroxy-7-<em>keto</em>-5β-cholanic acid, 3α-Hydroxy-7-oxo-5β-cholan-24-oic acid, 3α-Hydroxy-7-oxo-5β-cholanic acid, 3α-Hydroxy-7-oxo-5β-cholanoic acid, 3α-Hydroxy-7-oxo-5β-cholic acid, 5β-Cholan-24-oic acid, 3α-hydroxy-7-oxo-, 5β-Cholanic acid, 3α-hydroxy-7-oxo-, 5β-Cholanic acid-3α-ol-7-one, 7-<em>keto</em>-Lithocholic acid, 7-Ketochenodeoxycholic acid, 7-Oxo-3α-hydroxycholan-24-oic acid, 7K-LCA, <em>keto</em>-Lithocholic acid, Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α,5β)-, NSC 226118; object_uuid=fo-360630725f8ed4a0
cas_match_labels 1 — consensus_match group_key=3-hydroxy-7-oxocholan-24-oicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4651-67-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-360630725f8ed4a0: {'4651-67-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(3alpha,5beta)-3-hydroxy-7-oxocholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3alpha,5beta)-3-hydroxy-7-oxocholan-24-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3alpha-Hydroxy-7-oxo-5beta-cholanic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3alpha-Hydroxy-7-oxo-5beta-cholanic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3alpha-hydroxy-7-oxo-5beta-cholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3alpha-hydroxy-7-oxo-5beta-cholan-24-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-Ketolithocholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-Ketolithocholic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-oxo-3alpha-hydroxycholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-oxo-3alpha-hydroxycholan-24-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-oxolithocholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-oxolithocholic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Nutriacholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Nutriacholic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(3alpha,5beta)-3-hydroxy-7-oxocholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3alpha,5beta)-3-hydroxy-7-oxocholan-24-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3alpha-Hydroxy-7-oxo-5beta-cholanic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3alpha-Hydroxy-7-oxo-5beta-cholanic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3alpha-hydroxy-7-oxo-5beta-cholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3alpha-hydroxy-7-oxo-5beta-cholan-24-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-Ketolithocholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-Ketolithocholic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-oxo-3alpha-hydroxycholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-oxo-3alpha-hydroxycholan-24-oic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-oxolithocholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-oxolithocholic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Nutriacholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Nutriacholic acid', 'http://purl.obolibrary.org/obo/CHEBI_82679', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3α,5β)-3-Hydroxy-7-oxocholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3α-Hydroxy-7-<em>keto</em>-5β-cholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3α-Hydroxy-7-<em>keto</em>-5β-cholanic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3α-Hydroxy-7-oxo-5β-cholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3α-Hydroxy-7-oxo-5β-cholanic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3α-Hydroxy-7-oxo-5β-cholanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3α-Hydroxy-7-oxo-5β-cholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5β-Cholan-24-oic acid, 3α-hydroxy-7-oxo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5β-Cholanic acid, 3α-hydroxy-7-oxo-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5β-Cholanic acid-3α-ol-7-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '7-<em>keto</em>-Lithocholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '7-Ketochenodeoxycholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '7-Oxo-3α-hydroxycholan-24-oic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '7K-LCA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>keto</em>-Lithocholic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α,5β)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 226118', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4651-67-6', 'https://commonchemistry.cas.org/detail?cas_rn=4651-67-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-hydroxy-7-oxocholan-24-oicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=4651-67-6; added Common Chemistry CAS names as altLabel: (3α,5β)-3-Hydroxy-7-oxocholan-24-oic acid, 3α-Hydroxy-7-<em>keto</em>-5β-cholan-24-oic acid, 3α-Hydroxy-7-<em>keto</em>-5β-cholanic acid, 3α-Hydroxy-7-oxo-5β-cholan-24-oic acid, 3α-Hydroxy-7-oxo-5β-cholanic acid, 3α-Hydroxy-7-oxo-5β-cholanoic acid, 3α-Hydroxy-7-oxo-5β-cholic acid, 5β-Cholan-24-oic acid, 3α-hydroxy-7-oxo-, 5β-Cholanic acid, 3α-hydroxy-7-oxo-, 5β-Cholanic acid-3α-ol-7-one, 7-<em>keto</em>-Lithocholic acid, 7-Ketochenodeoxycholic acid, 7-Oxo-3α-hydroxycholan-24-oic acid, 7K-LCA, <em>keto</em>-Lithocholic acid, Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α,5β)-, NSC 226118; object_uuid=fo-360630725f8ed4a0
cas_match_labels None {'4651-67-6': 'exactMatch'} group_key=3-hydroxy-7-oxocholan-24-oicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4651-67-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-360630725f8ed4a0: {'4651-67-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "069eb1da-b060-4927-8720-0bb156f79139",
  "name": null,
  "cas_numbers": [
    "4651-67-6"
  ],
  "ec_numbers": [
    "225-083-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "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": 55.645
    },
    {
      "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": 55.645
    }
  ],
  "source": "EF 3.1",
  "identifier": "069eb1da-b060-4927-8720-0bb156f79139",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "source_flow_uuid": "069eb1da-b060-4927-8720-0bb156f79139",
      "source_flow_name": "3-hydroxy-7-oxocholan-24-oic 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 air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "7-Ketolithocholic acid",
      "@language": "en",
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        "prov:hadPrimarySource": [
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  "_sources": {
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    "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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-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": [
        "C24H38O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
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