Consensus flow list

Identity

Type
AtomCation
CAS
20074-52-6
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Iron(3+)

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 3
Has element chemrof:has_element {'@id': 'https://vocab.brightway.dev/flow-objects/fo-968d11f00ea71f40'}
InChI2D key string chemrof:inchi2d_key_string VTLYFUHAOXGGBS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/Fe/q+3
IUPAC name chemrof:IUPAC_name Iron(3+)
Molecular formula chemrof:molecular_formula Fe, Fe+3
Molecular mass chemrof:molecular_mass 55.845
Monoisotopic mass chemrof:monoisotopic_mass 55.93329, 55.933292
Relationships relationships {"parent_element_flow_object_id":"fo-968d11f00ea71f40","relationship_type":"ion_of","provenance":{"prov:wasGeneratedBy":"flow_layers.pubchem_element_enrichment","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1","PubChem","Common Chemistry"],"prov:wasDerivedFrom":"ion_label_to_base_element_mapping"}}
SMILES string chemrof:smiles_string [Fe+3]

Known URLs

15

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=20074-52-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29034 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9041029 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13949 enrich_references.pubchem_identifier_url
gmelin gmelin:15986 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/91O4LML611 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015531 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.513.812K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14819 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14819 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:FE enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/29936 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=071258 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1546357 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q3233795 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
70b1030e-5f9d-48a4-873c-72f1d3251a8d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4fd89d11-50e6-4244-9cf8-a086afbad5cb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
900acb30-d5e9-48d9-95de-62b4ab1b2fa3 Environmental → Air → Indoor EF 3.1 kg 2
f757b76d-075e-462e-85ad-ae77fec243e5 Environmental → Air → Long-term EF 3.1 kg 0
3f76c64e-488c-4d33-bf8e-760ed5cd4442 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
57decd6d-2f4e-4ec3-8a97-e42e4539a5e9 Environmental → Air → Unknown EF 3.1 kg 2
e71797f4-d4b7-4aae-acb7-0638b1324ac4 Environmental → Ground → Agricultural EF 3.1 kg 2
35854002-4dba-4488-a96d-73a8c7fdd658 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a80528c8-7b61-45a3-990c-04d7807b1d90 Environmental → Ground → Unknown EF 3.1 kg 2
85d27e2e-83aa-43db-84fe-b2e75f3fe41a Environmental → Water → Long-term EF 3.1 kg 0
ddb3ca9c-9662-41a6-8f92-d9abb9ae6df1 Environmental → Water → Ocean EF 3.1 kg 2
ae6ea8ca-1ca8-4bea-85b6-e137f6055e84 Environmental → Water → Surface water EF 3.1 kg 2
4c24b978-b3f6-4fad-a1d5-056cfbcda7ab Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-eb2df3c892330e00",
  "prefLabel": [
    {
      "@value": "Iron(3+)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "flow_layers.pubchem_element_enrichment",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Common Chemistry",
          "EF 3.1",
          "PubChem"
        ],
        "prov:wasDerivedFrom": "ion.prefLabel.titlecase"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "FE (III) ION",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_29034"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fe(3+)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_29034"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fe(III)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_29034"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Fe3+",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_29034"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ferric cation",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20074-52-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ferric ion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_29034"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ferric iron",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Iron (Fe3+)",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iron (iii)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Iron ion(3+)",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Iron trivalent ion",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Iron(III)",
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      "@lang": "en",
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      }
    },
    {
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      }
    },
    {
      "@value": "Iron(III) ion",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "iron, ion (Fe(3+))",
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      }
    },
    {
      "@value": "Iron, ion (Fe3+)",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "Fe",
        "Fe+3"
      ],
      "attested_by": {
        "Fe": [
          "enrich_references.chebi_semantic"
        ],
        "Fe+3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
        "[Fe+3]": [
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      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/Fe/q+3"
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          "prov:hadPrimarySource": [
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    },
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    "relationships": {
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        "prov:wasDerivedFrom": "ion_label_to_base_element_mapping"
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    },
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      }
    }
  },
  "references": [
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    },
    {
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