Consensus flow list

Identity

Type
AtomCation
CAS
22541-12-4
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Barium(2+)

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 2
Has element chemrof:has_element {'@id': 'https://vocab.brightway.dev/flow-objects/fo-228e2a1a69e17e84'}
InChI2D key string chemrof:inchi2d_key_string XDFCIPNJCBUZJN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/Ba/q+2
IUPAC name chemrof:IUPAC_name Barium (ii)
Molecular formula chemrof:molecular_formula Ba, Ba+2
Molecular mass chemrof:molecular_mass 137.328
Monoisotopic mass chemrof:monoisotopic_mass 137.90415
Relationships relationships {"parent_element_flow_object_id":"fo-228e2a1a69e17e84","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 [Ba+2]

Known URLs

14

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=22541-12-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37136 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10896835 enrich_references.pubchem_identifier_url
gmelin gmelin:6848 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V645272HLN enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0004142 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J643.974H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C13881 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C13881 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C82642 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:BA enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/104810 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=072202 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27104397 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8bcfb408-34bf-42a4-af17-f33420ca392b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e77711ad-ae7f-4c6e-9bfd-75a15aadbd5d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
289999eb-3d12-43c3-9e88-de0e158c8ca3 Environmental → Air → Indoor EF 3.1 kg 4
5b5307f9-40f8-413c-915d-513cac4917ea Environmental → Air → Long-term EF 3.1 kg 0
d8815744-3a16-4af5-a726-2ef269fab8f8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a92b3c3e-2aa6-4cf1-be1d-b9d745087477 Environmental → Air → Unknown EF 3.1 kg 4
a07b6e7e-f541-4018-a8e2-1a76a9c66460 Environmental → Ground → Agricultural EF 3.1 kg 4
78e283b8-4d2a-4456-a1b6-f9f945ceaab1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8c27ad07-5d50-4498-9246-d6927f7603e7 Environmental → Ground → Unknown EF 3.1 kg 4
712b2024-f857-4b71-baf7-fd369cd88c32 Environmental → Water → Long-term EF 3.1 kg 0
57ade468-589b-4cf9-a180-8c7f05d48146 Environmental → Water → Ocean EF 3.1 kg 4
2c1699b1-2147-4c58-93ad-9ad59bc10bb5 Environmental → Water → Surface water EF 3.1 kg 4
c7126c80-8176-4c45-950a-da40aa9ebc18 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-836990db2adbb250",
  "prefLabel": [
    {
      "@value": "Barium(2+)",
      "@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": "Ba(2+)",
      "@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_37136"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ba2+",
      "@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_37136"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Barium (Ba2+)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:22541-12-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=22541-12-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barium cation",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:22541-12-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=22541-12-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barium dication",
      "@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=22541-12-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BARIUM ION",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_37136"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Barium ion(2+)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=22541-12-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "barium(2+)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_37136"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "barium(2+) ion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "barium(II) cation",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_37136"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Barium(II) ion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=22541-12-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Barium, ion (Ba2+)",
      "@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=22541-12-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "barium (ii)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "carry_member_names",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "source_flow_name"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "Ba",
        "Ba+2"
      ],
      "attested_by": {
        "Ba": [
          "enrich_references.chebi_semantic"
        ],
        "Ba+2": [
          "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"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "[Ba+2]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Barium (ii)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ba+2]"
          ]
        }
      ],
      "attested_by": {
        "[Ba+2]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/Ba/q+2"
      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ba+2]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/Ba/q+2": [
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      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XDFCIPNJCBUZJN-UHFFFAOYSA-N"
      ],
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      },
      "rdfs:label": "InChIKey",
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        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        137.328
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
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        },
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          "prov:hadPrimarySource": [
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        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        137.90415
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Monoisotopic mass",
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    },
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      "@value": [
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        "prov:wasDerivedFrom": "ion_label_charge_state_regex_parse"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "Barium (ii)": [
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        ]
      }
    },
    "relationships": {
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        "prov:wasDerivedFrom": "ion_label_to_base_element_mapping"
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    },
    "https://w3id.org/chemrof/has_element": {
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      }
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  },
  "references": [
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