Consensus flow list

Identity

Type
NeutralMolecule
CAS
1647-16-1
EC
216-711-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1,9-decadiene

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NLDGJRWPPOSWLC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2
IUPAC name chemrof:IUPAC_name 1,9-decadiene
Molecular formula chemrof:molecular_formula C10H18
Molecular mass chemrof:molecular_mass 138.254
Monoisotopic mass chemrof:monoisotopic_mass 138.140851
SMILES string chemrof:smiles_string C=CCCCCCCC=C

Known URLs

13

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=108793-14-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1647-16-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:229289 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.193 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4022159 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=102789 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL31020 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2KWZ01G244 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244254 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J80.271I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130295 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15439 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q19885565 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0aa9c369-c993-4fe3-8e1d-7bb6c0c444c3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7ac2c60a-4467-462f-8ef7-d94bee432e44 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b61a9b2f-e949-4b17-bd64-faf3b3e44016 Environmental → Air → Indoor EF 3.1 kg 2
19846f09-0707-49d4-b376-018510453546 Environmental → Air → Long-term EF 3.1 kg 0
05711275-c3b7-4916-853e-cdfa3d45f217 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d45ba146-3a8a-4461-be59-bd3e79db3f5a Environmental → Air → Unknown EF 3.1 kg 2
78c596aa-e206-4f5e-b182-7401520278ab Environmental → Ground → Agricultural EF 3.1 kg 2
852daa5d-099d-43a1-a25f-c36db8e846c6 Environmental → Ground → Non-agricultural EF 3.1 kg 2
81e5fc7c-3468-4549-8138-09da9af6f371 Environmental → Ground → Unknown EF 3.1 kg 2
87c567f8-6aed-4d78-a7e4-8cdb5e5de6b2 Environmental → Water → Long-term EF 3.1 kg 0
356af4fa-be1c-43fe-9362-789449fc3b02 Environmental → Water → Ocean EF 3.1 kg 2
dccbdb38-3887-4f5d-b70b-1c7f228124fa Environmental → Water → Surface water EF 3.1 kg 2
6acaa1d5-dc2e-4ed4-bc8f-b96c962b8dc7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c3e89dd077e08485",
  "prefLabel": [
    {
      "@value": "1,9-decadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Deca-1,9-diene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1647-16-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1647-16-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α,ω-Decadiene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1647-16-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1647-16-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C10H18"
      ],
      "attested_by": {
        "C10H18": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=CCCCCCCC=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      ],
      "attested_by": {
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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/smiles_string": {
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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/inchi2d_string": {
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      "rdfs:label": "InChI",
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "provenance": {
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      },
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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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": {
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      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
        {
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          ]
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "138.140851": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J80.271I",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[1647-16-1]"
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    {
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    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "05711275-c3b7-4916-853e-cdfa3d45f217",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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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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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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