Consensus flow list

Identity

Substance
fo-52fc46383f845289 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Indoor
CAS
115241-16-2
EC
601-350-2

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 4b915bf6-9c29-424c-b6bc-f0aa7d9de4e5 n-[(2s,3r,4s)-2,3,4,6-tetrahydroxy-5-oxohexyl]formamide 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 4b915bf6-9c29-424c-b6bc-f0aa7d9de4e5 n-[(2s,3r,4s)-2,3,4,6-tetrahydroxy-5-oxohexyl]formamide 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": "6-Deoxy-6-(formylamino)-L-sorbose",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115241-16-2",
          "https://commonchemistry.cas.org/detail?cas_rn=115241-16-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-Sorbose, 6-deoxy-6-(formylamino)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:115241-16-2",
          "https://commonchemistry.cas.org/detail?cas_rn=115241-16-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C7H13NO6"
      ],
      "attested_by": {
        "C7H13NO6": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:22841505"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=CNC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "REYQKLHOAVJGBY-UBKIQSJTSA-N"
      ],
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      },
      "rdfs:label": "InChIKey",
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    },
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        },
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        },
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          "prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C7H13NO6/c9-2-5(12)7(14)6(13)4(11)1-8-3-10/h3-4,6-7,9,11,13-14H,1-2H2,(H,8,10)/t4-,6+,7+/m0/s1"
      ],
      "provenance": [
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          ]
        },
        {
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        }
      ],
      "attested_by": {
        "InChI=1S/C7H13NO6/c9-2-5(12)7(14)6(13)4(11)1-8-3-10/h3-4,6-7,9,11,13-14H,1-2H2,(H,8,10)/t4-,6+,7+/m0/s1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
        "N-[(2s,3r,4s)-2,3,4,6-tetrahydroxy-5-oxohexyl]formamide"
      ],
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        ]
      },
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
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          ]
        }
      ],
      "attested_by": {
        "207.182": [
          "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": [
        207.074287
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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        },
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/isomeric_smiles_string": {
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        "O=CNC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO"
      ],
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          ]
        },
        {
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        },
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          "prov:wasGeneratedBy": "semantic_typing.classify",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:wasDerivedFrom": "smiles_string"
        }
      ]
    }
  },
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  ],
  "prefLabel": [
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      "@language": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "4b915bf6-9c29-424c-b6bc-f0aa7d9de4e5",
  "identifier": "4b915bf6-9c29-424c-b6bc-f0aa7d9de4e5",
  "source": "EF 3.1",
  "cas_numbers": [
    "115241-16-2"
  ],
  "ec_numbers": [
    "601-350-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "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": 0.000014021
    },
    {
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      "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": 0.000014021
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "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-52fc46383f845289",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "n-[(2s,3r,4s)-2,3,4,6-tetrahydroxy-5-oxohexyl]formamide",
        "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/4b915bf6-9c29-424c-b6bc-f0aa7d9de4e5"
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      }
    }
  ],
  "_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": {
    "115241-16-2": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "n-[(2s,3r,4s)-2,3,4,6-tetrahydroxy-5-oxohexyl]formamide",
    "synonyms": [
      "organic",
      "l-sorbose,6-deoxy-6-(formylamino)-"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, indoor"
    ],
    "cas_numbers": [
      "115241-16-2"
    ],
    "ec_numbers": [
      "601-350-2"
    ],
    "unit": "kg"
  }
}

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