Brightway Flows 1.0
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Titanium, ion

fo-bb650b137c697bce

Identity

Type
Atom cation
CAS
22541-75-9
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
26 across every transformer

Structure

Structure diagram for Titanium, ion

Properties

PropertyValue
Has element chemrof:has_element {'@id': 'https://vocab.brightway.dev/flow-objects/fo-d84e95cea44ee87b'}
InChI2D key string chemrof:inchi2d_key_string LCKIEQZJEYYRIY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/Ti/q+4
IUPAC name chemrof:IUPAC_name titanium(4+)
Molecular formula chemrof:molecular_formula Ti+4
Molecular mass chemrof:molecular_mass 47.867
Monoisotopic mass chemrof:monoisotopic_mass 47.945752
Relationships relationships {"parent_element_flow_object_id":"fo-d84e95cea44ee87b","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 [Ti+4]

Known URLs

8

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=22541-75-9 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80936292 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7R411EMJ0N enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0001966 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.791.897K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/114942 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=072659 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27268742 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
3eccab8cf49b701204c6ed76e1e3b49bac840515 Environmental → Air → Aircraft cruise height ecoinvent algorithm addition kg 0
1fa64d60ed23cad3d14168ea51b1db7c872f531e Environmental → Air → Ground level → Urban (>1000 people/square mile) ecoinvent algorithm addition kg 0
6c2813a0148e6e5998e311f3e633df148e5bb126 Environmental → Air → Long-term ecoinvent algorithm addition kg 0
72b976c7391c8374e1a2b4df582efe0ab104d388 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
7335894e5f1e5b185d9c0281e052e511bdee7338 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
c56ad16e2f0c4856c795a978e5d12732fbc29f44 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
c9b9a5cd524b1fa49e07b95939bd6ed645925407 Environmental → Ground → Industrial ecoinvent algorithm addition kg 0
6814db4379a5964aaa9e70ddd49dfb541c18dd99 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
92195b8495639663fc5846ae82c8dba7d76b79bd Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
bc78b034-3637-4772-8147-9bb233b0d92b Environmental → Water → Long-term EF 3.1 kg 0
ec4ac3c6-6773-4fc2-a0a5-4b14f2fd3e97 Environmental → Water → Ocean EF 3.1 kg 0
d2a3724dda3dcb9d589c96d067b1cf0abf08474b Environmental → Water → River agribalyse algorithm addition kg 0
fa00767c-9b51-4b4f-a30d-abbd9c15152d Environmental → Water → Surface water EF 3.1 kg 0
5d7e594c7aa25af1d1e0bfb04c8cc5864674a392 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
d409933f-a19f-4ff0-8fbd-1ca38e0819c1 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (26 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-bb650b137c697bce",
  "prefLabel": [
    {
      "@value": "Titanium, ion",
      "@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": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "Ti+4"
      ],
      "attested_by": {
        "Ti+4": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:114942"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ti+4]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "LCKIEQZJEYYRIY-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "LCKIEQZJEYYRIY-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:114942"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ti+4]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "[Ti+4]"
      ],
      "attested_by": {
        "[Ti+4]": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:114942"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ti+4]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/Ti/q+4"
      ],
      "attested_by": {
        "InChI=1S/Ti/q+4": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:114942"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ti+4]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "titanium(4+)"
      ],
      "attested_by": {
        "titanium(4+)": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:114942"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        47.867
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ti+4]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ti+4]"
          ]
        }
      ],
      "attested_by": {
        "47.867": [
          "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": [
        47.945752
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ti+4]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Ti+4]"
          ]
        }
      ],
      "attested_by": {
        "47.945752": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "relationships": {
      "parent_element_flow_object_id": "fo-d84e95cea44ee87b",
      "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"
      }
    },
    "https://w3id.org/chemrof/has_element": {
      "rdfs:label": "has element",
      "@value": [
        {
          "@id": "https://vocab.brightway.dev/flow-objects/fo-d84e95cea44ee87b"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "relationships.parent_element_flow_object_id"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.791.897K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:114942;CAS:22541-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22541-75-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=22541-75-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "22541-75-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID80936292",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22541-75-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7R411EMJ0N",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:114942;CAS:22541-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22541-75-9]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0001966",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:114942;CAS:22541-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22541-75-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/114942",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:114942;CAS:22541-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[22541-75-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=072659",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:114942;CAS:22541-75-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22541-75-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27268742",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22541-75-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "bc78b034-3637-4772-8147-9bb233b0d92b",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "monoatomic_ion",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/AtomCation"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.monoatomic_ion"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "22541-75-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=22541-75-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "flow_layers.pubchem_element_enrichment",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1;PubChem;Common Chemistry;EC inventory"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/AtomCation"
  ]
}

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