Consensus flow list

Sch 56592-vvt

b09bf9a7-e909-41a5-8db2-94e11a20b915

Identity

Substance
fo-d582c9d01d8fbe4b Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Ground → Unknown
CAS
345217-02-9
EC
447-870-1

Context

Dimension
Environmental
Geography
Unknown
Media
Ground

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 b09bf9a7-e909-41a5-8db2-94e11a20b915 sch 56592-vvt 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 b09bf9a7-e909-41a5-8db2-94e11a20b915 sch 56592-vvt Emissions/Emissions to soil/Emissions to soil, unspecified exactMatch —

Characterisation factors

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 — 28,127 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 28,127 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 28,127 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 28,127 sole

This flow in the difference report

History

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

Open the changes page

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": "1-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:345217-02-9",
          "https://commonchemistry.cas.org/detail?cas_rn=345217-02-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydrazinecarboxamide, 1-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:345217-02-9",
          "https://commonchemistry.cas.org/detail?cas_rn=345217-02-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C29H37N5O3"
      ],
      "attested_by": {
        "C29H37N5O3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[C@@H]([C@H](C)OCc1ccccc1)N(N)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OYVWMWMSNMDYQC-DWACAAAGSA-N"
      ],
      "attested_by": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCC(C(C)OCc1ccccc1)N(N)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1"
      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CC[C@@H]([C@H](C)OCc1ccccc1)N(N)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1"
          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
        }
      ],
      "attested_by": {
        "CC[C@@H]([C@H](C)OCc1ccccc1)N(N)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[C@@H]([C@H](C)OCc1ccccc1)N(N)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C29H37N5O3/c1-3-28(22(2)37-21-23-7-5-4-6-8-23)34(30)29(36)31-24-9-11-25(12-10-24)32-17-19-33(20-18-32)26-13-15-27(35)16-14-26/h4-16,22,28,35H,3,17-21,30H2,1-2H3,(H,31,36)/t22-,28-/m0/s1": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide"
        ]
      },
      "attested_by": {
        "1-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]hydrazinecarboxamide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        503.647
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(C(C)OCC1=CC=CC=C1)N(C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)N"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC[C@@H]([C@H](C)OCc1ccccc1)N(N)C(=O)Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus",
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        ]
      },
      "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": [
        503.28964
      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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        },
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      ],
      "attested_by": {
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    },
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        {
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          "prov:hadPrimarySource": [
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          ]
        },
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          "prov:wasDerivedFrom": "smiles_string"
        }
      ]
    }
  },
  "references": [
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      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[345217-02-9]"
      }
    },
    {
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[345217-02-9]"
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    }
  ],
  "prefLabel": [
    {
      "@value": "Sch 56592-vvt",
      "@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": "b09bf9a7-e909-41a5-8db2-94e11a20b915",
  "identifier": "b09bf9a7-e909-41a5-8db2-94e11a20b915",
  "source": "EF 3.1",
  "cas_numbers": [
    "345217-02-9"
  ],
  "ec_numbers": [
    "447-870-1"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "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": 28127.0
    },
    {
      "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": 28127.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-d582c9d01d8fbe4b",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
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        "skos:prefLabel": "sch 56592-vvt",
        "context": "Emissions/Emissions to soil/Emissions to soil, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/b09bf9a7-e909-41a5-8db2-94e11a20b915"
        }
      },
      "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",
    "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": {
    "345217-02-9": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "sch 56592-vvt",
    "synonyms": [],
    "context": [
      "Emissions",
      "Emissions to soil",
      "Emissions to soil, unspecified"
    ],
    "cas_numbers": [
      "345217-02-9"
    ],
    "ec_numbers": [
      "447-870-1"
    ],
    "unit": "kg"
  }
}

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