Brightway Flows 1.0
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1,3-Butadiyne

fo-e4c829493cbaf22c

Identity

Type
Neutral molecule
CAS
460-12-8
EC
207-303-9
Origin
agribalyse-3.2 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for 1,3-Butadiyne

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LLCSWKVOHICRDD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H2/c1-3-4-2/h1-2H
IUPAC name chemrof:IUPAC_name 1,3-Butadiyne
Molecular formula chemrof:molecular_formula C4H2
Molecular mass chemrof:molecular_mass 50.06
Monoisotopic mass chemrof:monoisotopic_mass 50.01565
SMILES string chemrof:smiles_string C#CC#C

Known URLs

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
beilstein beilstein:1236317 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=460-12-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37820 enrich_references.chebi_id_link

Elementary flows

1
Flow Context Source Unit CFs
f96139687939924b0e4b1d7c2a9118c5e05284a1 Environmental → Air → Unknown agribalyse 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-e4c829493cbaf22c",
  "prefLabel": [
    {
      "@value": "1,3-Butadiyne",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "agribalyse-3.2"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Biacetylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "agribalyse-3.2",
          "http://purl.obolibrary.org/obo/CHEBI_37820"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Biethynyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "agribalyse-3.2",
          "http://purl.obolibrary.org/obo/CHEBI_37820"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Butadiyne",
      "@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_37820"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Diacetylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "HC#CC#CH",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "buta-1,3-diyne",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
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        },
        {
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
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        },
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    },
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      "rdfs:label": "InChI",
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      ],
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      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
      "@value": [
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      ],
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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        },
        {
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      "attested_by": {
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      },
      "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": [
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      ],
      "provenance": [
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      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
        "0": [
          "enrich_references.chebi_semantic"
        ]
      },
      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,3-Butadiyne"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
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        "prov:hadPrimarySource": [
          "1,3-Butadiyne"
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      },
      "attested_by": {
        "1,3-Butadiyne": [
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        ]
      }
    }
  },
  "references": [
    {
      "@id": "beilstein:1236317",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=460-12-8",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi.id"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "9ff6faf8-5f1c-5e07-b0b7-b226f944f714",
    "seed_source": "agribalyse-3.2",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  },
  "classifications": {
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      "@value": [
        "460-12-8"
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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