Consensus flow list

Identity

Type
AtomCation
CAS
14127-61-8
EC
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Calcium(2+)

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 2
Has element chemrof:has_element {'@id': 'https://vocab.brightway.dev/flow-objects/fo-a2c8e94aa1dd9747'}
InChI2D key string chemrof:inchi2d_key_string BHPQYMZQTOCNFJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/Ca/q+2
IUPAC name chemrof:IUPAC_name Calcium(2+)
Molecular formula chemrof:molecular_formula Ca, Ca+2
Molecular mass chemrof:molecular_mass 40.078
Monoisotopic mass chemrof:monoisotopic_mass 39.96149, 39.961494
Relationships relationships {"parent_element_flow_object_id":"fo-a2c8e94aa1dd9747","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 [Ca+2]

Known URLs

5

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=14127-61-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29108 enrich_references.chebi_id_link
gmelin gmelin:6850 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C00076 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:CA enrich_references.chebi_xrefs

Elementary flows

1
Flow Context Source Unit CFs
c4a7c4716e49ca2a1229199cb093fc4e7bf5462c Resource → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-daf7d7a3c47dd1ea",
  "prefLabel": [
    {
      "@value": "Calcium(2+)",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "CALCIUM ION",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_29108"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ca(2+)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ca2+",
      "@language": "en",
      "@lang": "en",
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          "http://purl.obolibrary.org/obo/CHEBI_29108"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium(2+) ion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium(II) cation",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "calcium, doubly charged positive ion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Calcium (II) ion",
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      }
    },
    {
      "@value": "Calcium cation",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Calcium dication",
      "@language": "en",
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    },
    {
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      }
    },
    {
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      ],
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        ],
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      },
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  "@type": [
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}

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