EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:43003 - heptan-1-ol

ChEBI IDCHEBI:43003
ChEBI Nameheptan-1-ol
Stars
DefinitionA primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum.
Secondary ChEBI IDCHEBI:88619
Last Modified25 October 2023
DownloadsMolfile
FormulaC7H16O
Net Charge0
Average Mass116.204
Monoisotopic Mass116.12012
SMILESCCCCCCCO
InChIInChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKeyBBMCTIGTTCKYKF-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (20055983)
Capillipedium parviflorum (ncbitaxon:79829) aerial part (BTO:0001658) PubMed (15279990)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
gap junctional intercellular communication inhibitor  An inhibitor that interferes with the process of gap junctional intercellular communication.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Applications:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
heptan-1-ol (CHEBI:43003) has role flavouring agent (CHEBI:35617)
heptan-1-ol (CHEBI:43003) has role fragrance (CHEBI:48318)
heptan-1-ol (CHEBI:43003) has role gap junctional intercellular communication inhibitor (CHEBI:67195)
heptan-1-ol (CHEBI:43003) has role plant metabolite (CHEBI:76924)
heptan-1-ol (CHEBI:43003) is a heptanol (CHEBI:195607)
heptan-1-ol (CHEBI:43003) is a primary alcohol (CHEBI:15734)
IUPAC Name 
heptan-1-ol
Synonyms  Source
heptanolMetaCyc
1-heptanolChemIDplus
FEMA 2548HMDB
1-hydroxy heptaneChemIDplus
heptyl alcoholMetaCyc
n-heptyl alcoholChemIDplus
UniProt Name  Source
heptan-1-olUniProt
Manual XrefsDatabases
HE4PDBeChem
C00035700KNApSAcK
1-HeptanolWikipedia
HMDB0031479HMDB
FDB008053FooDB
LMFA05000122LIPID MAPS
CPD-9057MetaCyc
Registry NumbersSources
Beilstein:1731686Beilstein
CAS:111-70-6ChemIDplus
CAS:111-70-6NIST Chemistry WebBook
Citations