Aluminium(3+)

aluminium (iii)

Property	Value
Elemental charge chemrof:elemental_charge	3
Has element chemrof:has_element	{'@id': 'https://vocab.brightway.dev/flow-objects/fo-2fad20130f1b5fd6'}
InChI2D key string chemrof:inchi2d_key_string	REDXJYDRNCIFBQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/Al/q+3
IUPAC name chemrof:IUPAC_name	Aluminium (iii)
Molecular formula chemrof:molecular_formula	Al+3
Molecular mass chemrof:molecular_mass	26.982
Monoisotopic mass chemrof:monoisotopic_mass	26.979893
Relationships relationships	{"parent_element_flow_object_id":"fo-2fad20130f1b5fd6","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	[Al+3]

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=22537-23-1	enrich_references.consensus_cas_link
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49470	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70912343	enrich_references.pubchem_identifier_url
drugbank.ca	https://www.drugbank.ca/drugs/DB14519	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3XHB1D032B	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.721.151F	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68233	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/104727	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=072192	enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov	https://rxnav.nlm.nih.gov/id/rxnorm/1546162	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27104698	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
63096598-3013-4e8c-8363-371f96352420	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
03918759-fb5f-4e9b-bdc1-98f368a65b39	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c49293c0-7f09-4799-a8b0-d459d4b05c9e	Environmental → Air → Indoor	EF 3.1	kg	2
239b9a3b-129c-4ccb-9065-09659f3b4812	Environmental → Air → Long-term	EF 3.1	kg	0
6b3cb8c7-159b-49e9-bd67-87cbeb21457c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
b5441bcd-0d6c-4606-8059-39994f011e61	Environmental → Air → Unknown	EF 3.1	kg	2
1c54ac00-a958-487b-918b-b25d6100aa7a	Environmental → Ground → Agricultural	EF 3.1	kg	2
dfb8271e80b7e6b8366baedf959fa5bd248d41e7	Environmental → Ground → Industrial	ecoinvent algorithm addition	kg	0
f4f649ca-a54b-43c5-82cd-fc8eaca8308a	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
233c973580b6bb5657c002389258b65af710b8af	Environmental → Ground → Silvicultural	ecoinvent algorithm addition	kg	0
67537cea-9a9b-49c7-8ef3-358c124c1a0d	Environmental → Ground → Unknown	EF 3.1	kg	2
5311ad70-32a6-4a2f-8f1b-50501dba37fc	Environmental → Water → Long-term	EF 3.1	kg	0
08a5a766-b889-4809-adfe-ca6ff8323470	Environmental → Water → Ocean	EF 3.1	kg	2
53dfc9c28cb27b938b62c09579b6f6a0328de1a6	Environmental → Water → River	agribalyse algorithm addition	kg	0
af5e87f8-6bfa-4eee-a999-cc6504d4e647	Environmental → Water → Surface water	EF 3.1	kg	2
0dd79be38e3ed824246950cab4f9bf36af54c918	Environmental → Water → Unconfined aquifer	ecoinvent algorithm addition	kg	0
c9b156f3-7d47-4bb2-ad51-385b54c8612a	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-bfa054d9244abf7c",
  "prefLabel": [
    {
      "@value": "Aluminium(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": "aluminium (iii)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "carry_member_names",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "source_flow_name"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "Al+3"
      ],
      "attested_by": {
        "Al+3": [
          "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:104727"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "REDXJYDRNCIFBQ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "REDXJYDRNCIFBQ-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:104727"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "[Al+3]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Aluminium (iii)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3]"
          ]
        }
      ],
      "attested_by": {
        "[Al+3]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/Al/q+3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Aluminium (iii)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/Al/q+3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Aluminium (iii)"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Aluminium (iii)"
        ]
      },
      "attested_by": {
        "Aluminium (iii)": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        26.982
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3]"
          ]
        }
      ],
      "attested_by": {
        "26.982": [
          "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": [
        26.979893
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "[Al+3]"
          ]
        }
      ],
      "attested_by": {
        "26.979893": [
          "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-2fad20130f1b5fd6",
      "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/elemental_charge": {
      "rdfs:label": "elemental charge",
      "@value": [
        3
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "flow_layers.pubchem_element_enrichment",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ion_label_charge_state_regex_parse"
      }
    },
    "https://w3id.org/chemrof/has_element": {
      "rdfs:label": "has element",
      "@value": [
        {
          "@id": "https://vocab.brightway.dev/flow-objects/fo-2fad20130f1b5fd6"
        }
      ],
      "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=J3.721.151F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=22537-23-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "22537-23-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID70912343",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3XHB1D032B",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    },
    {
      "@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68233",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/104727",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[22537-23-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=072192",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    },
    {
      "@id": "https://rxnav.nlm.nih.gov/id/rxnorm/1546162",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    },
    {
      "@id": "https://www.drugbank.ca/drugs/DB14519",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49470",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27104698",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:104727;CAS:22537-23-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[22537-23-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "03918759-fb5f-4e9b-bdc1-98f368a65b39",
    "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": [
        "22537-23-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=22537-23-1"
      ],
      "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Aluminium(3+)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard