Consensus flow list

Identity

Type
NeutralMolecule
CAS
629-73-2
EC
211-105-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 1-Hexadecene

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GQEZCXVZFLOKMC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
IUPAC name chemrof:IUPAC_name 1-Hexadecene
Molecular formula chemrof:molecular_formula C16H32
Molecular mass chemrof:molecular_mass 224.432
Monoisotopic mass chemrof:monoisotopic_mass 224.2504, 224.250401
SMILES string chemrof:smiles_string C=CCCCCCCCCCCCCCC

Known URLs

21

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=25655-58-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=26952-14-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=629-73-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77507 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.097 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.742 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1027269 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60602 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182381 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/97T015M2UX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243889 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.546E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130597 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-14228 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12395 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22100714 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22806617 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24352015 enrich_references.chebi_xrefs
reaxys reaxys:1753401 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27147084 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Hexadecene enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
42cbe5ca-b478-4328-aa42-dd401f18abb1 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
af592c31-b951-434c-a8b4-42fa84afb40f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
841d7068-b038-4aeb-998a-e94d9ee24e52 Environmental → Air → Indoor EF 3.1 kg 4
0042b68e-7e28-46cd-a5a0-800a09c1dffd Environmental → Air → Long-term EF 3.1 kg 0
d11ceee4-2e60-42ab-8b5b-4ccd67102493 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
aa5ed33c-1252-411d-97c5-2ee6fc06329b Environmental → Air → Unknown EF 3.1 kg 4
23f1a9a4-e5f1-4123-88ef-d0089de54653 Environmental → Ground → Agricultural EF 3.1 kg 4
810e2337-6216-4162-a0a9-85b8481b7193 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2587df99-da4c-4144-b5ed-7da27a214d6b Environmental → Ground → Unknown EF 3.1 kg 4
19954e3f-4d2a-4056-8938-a62b83f942d2 Environmental → Water → Long-term EF 3.1 kg 0
732d6ec6-1819-4802-9d1b-9d01546c6eb6 Environmental → Water → Ocean EF 3.1 kg 4
cb292736-1c88-4c52-910e-812072cf4d6d Environmental → Water → Surface water EF 3.1 kg 4
833d93a3-224e-459a-8ca7-a55efc675c53 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ef9ccc380bd73dbf",
  "prefLabel": [
    {
      "@value": "1-Hexadecene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Cetene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-n-Hexadecene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-Hexadecene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha-Hexadecylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cetene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cetylene",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dialen 16",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexadec-1-ene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Hexadecylene-1",
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    },
    {
      "@value": "LAO-C 16",
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      }
    },
    {
      "@value": "Linealene 16",
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    },
    {
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      }
    },
    {
      "@value": "Neodene 16",
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    },
    {
      "@value": "NeoSolv 6",
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      }
    },
    {
      "@value": "α-Hexadecene",
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  "properties": {
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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      ]
    },
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "attested_by": {
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        "224.250401": [
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    "https://w3id.org/chemrof/elemental_charge": {
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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  },
  "references": [
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