Consensus flow list

Pyrite

fo-752f9c95c55100e0

Identity

Type
Molecular complex
CAS
1309-36-0
EC
215-167-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
22 across every transformer

Structure

Structure diagram for Pyrite

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NFMAZVUSKIJEIH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/Fe.2S
IUPAC name chemrof:IUPAC_name iron disulfide
Molecular formula chemrof:molecular_formula FeS2
Molecular mass chemrof:molecular_mass 119.979
Monoisotopic mass chemrof:monoisotopic_mass 119.879079
SMILES string chemrof:smiles_string [Fe].[S].[S]

Known URLs

20

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=1309-36-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86471 enrich_references.chebi_id_link
PubMed https://pubmed.ncbi.nlm.nih.gov/25381488 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25588180 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25644191 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25646928 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25666234 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25714842 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25720669 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25792435 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25804530 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25935408 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25941034 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25970929 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26026959 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26077541 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26087015 enrich_references.chebi_xrefs
reaxys reaxys:11329938 enrich_references.chebi_xrefs
reaxys reaxys:16539389 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Pyrite enrich_references.chebi_xrefs

Elementary flows

1
Flow Context Source Unit CFs
0d7a13f0-6556-11dd-ad8b-0800200c9a66 Resource → Ground EF 3.1 kg 0

History

Everything that changed this substance (22 changes)

Open the changes page

Full record

Flow object JSON 
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    "seed_uuid": "0d7a13f0-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "1309-36-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1309-36-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1309-36-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "215-167-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=215-167-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An iron sulfide mineral with formula FeS2.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86471"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

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