Consensus flow list

Cis-hex-3-en-1-ol

fo-92b2b51fd0d3babf

Identity

Type
Neutral molecule
CAS
928-96-1
EC
213-192-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Cis-hex-3-en-1-ol

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

20

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UFLHIIWVXFIJGU-ARJAWSKDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C=C\CCO
IUPAC name chemrof:IUPAC_name Cis-hex-3-en-1-ol
Molecular formula chemrof:molecular_formula C6H12O
Molecular mass chemrof:molecular_mass 100.161
Monoisotopic mass chemrof:monoisotopic_mass 100.088815, 100.08882
SMILES string chemrof:smiles_string CCC=CCCO

Known URLs

37

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
agr agr:IND43625196 enrich_references.chebi_xrefs
agr agr:IND44295090 enrich_references.chebi_xrefs
agr agr:IND600863761 enrich_references.chebi_xrefs
agr agr:IND605495882 enrich_references.chebi_xrefs
agr agr:IND82080126 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=928-96-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28857 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.011.994 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6022137 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=74451 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251452 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/cis-3-hexenol enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB008091 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V14F8G75P4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0030003 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.411D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C08492 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C08492 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000356 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA05000059 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA05000059 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CIS-3-HEXENOL enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5281167 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16132223 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21628908 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22714804 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23001219 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23678819 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23749439 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23923622 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24301200 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27717473 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5351709 enrich_references.chebi_xrefs
reaxys reaxys:1719712 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1807112 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q300850 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Cis-3-Hexen-1-ol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
94b45e07-f6dc-472d-b87c-c24898c473b3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6c046c85-5c98-4d1a-8ded-063bf6c4932b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fceab84f-7885-4d1c-8019-b0edbcf8223d Environmental → Air → Indoor EF 3.1 kg 4
29c4e139-db59-4b3f-92f9-9ae75522460d Environmental → Air → Long-term EF 3.1 kg 0
57848bdf-e037-4391-a2bd-fd2611249d4e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7768875c-ce44-4372-8fe0-4c0ff6ce1671 Environmental → Air → Unknown EF 3.1 kg 4
f7c2b2ff-9d3e-40a5-9110-d8abc7743912 Environmental → Ground → Agricultural EF 3.1 kg 4
1bf1b27f-77fb-4611-bd32-a55b55930a10 Environmental → Ground → Non-agricultural EF 3.1 kg 4
42c969d6-5458-4e72-8731-c0d88d95a5d4 Environmental → Ground → Unknown EF 3.1 kg 4
e22251fc-36db-4407-91c0-e2b9775079bb Environmental → Water → Long-term EF 3.1 kg 0
384399c3-8de2-4c16-90ab-3af4f4616b20 Environmental → Water → Ocean EF 3.1 kg 4
b9a08564-de9e-472f-87dd-8aae04de7056 Environmental → Water → Surface water EF 3.1 kg 4
3df0a18f-1552-404e-8860-879029cdcefd 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-92b2b51fd0d3babf",
  "prefLabel": [
    {
      "@value": "Cis-hex-3-en-1-ol",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3Z)-3-Hexen-1-ol",
      "@language": "en",
      "@lang": "en",
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    {
      "@value": "(3Z)-hex-3-en-1-ol",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(3Z)-Hexenol",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Z)-3-hexen-1-ol",
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    },
    {
      "@value": "(Z)-3-Hexenol",
      "@language": "en",
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    {
      "@value": "(Z)-Hex-3-en-1-ol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Hexen-1-ol, (3Z)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "3-Hexen-1-ol, (Z)-",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-Hexen-1-ol, cis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3Z-Hexen-1-ol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Blaetteralkohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Blatteralkohol",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "cis-1-Hydroxy-3-hexene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "cis-3-Hexen-1-ol",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "cis-3-Hexene-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "cis-3-Hexenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "cis-3-Hexenyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=928-96-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Folic alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=928-96-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Green leaf alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Leaf alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H12O"
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      "attested_by": {
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          "enrich_references.pubchem_semantic",
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      },
      "rdfs:label": "Molecular formula",
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    },
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      "@value": [
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "rdfs:label": "InChIKey",
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    },
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      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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