Consensus flow list

Trp-p-1 Acetate

02202b47-8d14-4cfe-96f3-fc45a33b62f2

Identity

Substance
fo-80eb226b16331fb2 MolecularComplex
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Indoor
CAS
75104-43-7
EC
—

Context

Dimension
Environmental
Indoor
Unknown
Media
Air

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 02202b47-8d14-4cfe-96f3-fc45a33b62f2 trp-p-1 acetate 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 02202b47-8d14-4cfe-96f3-fc45a33b62f2 trp-p-1 acetate Emissions/Emissions to air/Emissions to air, indoor exactMatch —

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

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Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-, acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:75104-43-7",
          "https://commonchemistry.cas.org/detail?cas_rn=75104-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-, acetate (1:?)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:75104-43-7",
          "https://commonchemistry.cas.org/detail?cas_rn=75104-43-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H17N3O2"
      ],
      "attested_by": {
        "C15H17N3O2": [
          "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:5284473"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "UXNRBAJNAWIPGF-UHFFFAOYSA-N"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-, acetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12"
          ]
        }
      ],
      "attested_by": {
        "CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)"
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C13H13N3.C2H4O2/c1-7-12-11(8(2)15-13(7)14)9-5-3-4-6-10(9)16-12;1-2(3)4/h3-6,16H,1-2H3,(H2,14,15);1H3,(H,3,4)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-, acetate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-, acetate"
        ]
      },
      "attested_by": {
        "5H-Pyrido[4,3-b]indol-3-amine, 1,4-dimethyl-, acetate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        271.32
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=C2C(=C(N=C1N)C)C3=CC=CC=C3N2.CC(=O)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12"
          ]
        }
      ],
      "attested_by": {
        "271.32": [
          "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": [
        271.132077
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=C2C(=C(N=C1N)C)C3=CC=CC=C3N2.CC(=O)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12"
          ]
        }
      ],
      "attested_by": {
        "271.132077": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.249.034",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5284473;CAS:75104-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[75104-43-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=75104-43-7",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
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    },
    {
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    }
  ],
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "02202b47-8d14-4cfe-96f3-fc45a33b62f2",
  "identifier": "02202b47-8d14-4cfe-96f3-fc45a33b62f2",
  "source": "EF 3.1",
  "cas_numbers": [
    "75104-43-7"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.0043843
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.0043843
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "prefLabel": [
    {
      "@value": "Trp-p-1 Acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-80eb226b16331fb2",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/02202b47-8d14-4cfe-96f3-fc45a33b62f2",
        "skos:prefLabel": "trp-p-1 acetate",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/02202b47-8d14-4cfe-96f3-fc45a33b62f2"
        }
      },
      "xkos:targetConcept": {
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      },
      "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": "normalise_property_values",
    "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": {
    "75104-43-7": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "trp-p-1 acetate",
    "synonyms": [
      "1,4-Dimethyl-5H-pyrido(4,3-b)indol-3-amine acetate",
      "1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine",
      "1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine acetate",
      "3-AMINO-1,4-DIMETHYL-5H-PYRIDO(4,3-B)INDOLE ACETATE",
      "3-AMINO-1,4-DIMETHYL-5H-PYRIDO-[4,3-b] INDOLE ACETATE",
      "3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole monoacetate",
      "3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole acetate",
      "5H-Pyrido(4,3-b)indol-3-amine, 1,4-dimethyl-, acetate",
      "5H-Pyrido(4,3-b)indol-3-amine, 1,4-dimethyl-, monoacetate",
      "5H-Pyrido(4,3-b)indole, 3-amino-1,4-dimethyl-, acetate",
      "AC1NR4IJ",
      "OR0750T",
      "Trp-P-1 (acetate)",
      "acetic acid"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, indoor"
    ],
    "cas_numbers": [
      "75104-43-7"
    ],
    "ec_numbers": [],
    "unit": "kg"
  }
}

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