CHEBI:44009 - 6-methylheptan-1-ol

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ChEBI Name 6-methylheptan-1-ol
ChEBI ID CHEBI:44009
Definition A primary alcohol that is heptane which is substituted by a methyl group at position 6 and a hydroxy group at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H18O
Net Charge 0
Average Mass 130.228
Monoisotopic Mass 130.13577
InChI InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKey BWDBEAQIHAEVLV-UHFFFAOYSA-N
SMILES OCCCCCC(C)C
Metabolite of Species Details
Millardia meltada (NCBI:txid121583) Identified in the crude extract of preputial gland See: PubMed
Roles Classification
Biological Role(s): mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
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ChEBI Ontology
Outgoing 6-methylheptan-1-ol (CHEBI:44009) has role mammalian metabolite (CHEBI:75768)
6-methylheptan-1-ol (CHEBI:44009) is a primary alcohol (CHEBI:15734)
6-methylheptan-1-ol (CHEBI:44009) is a volatile organic compound (CHEBI:134179)
Incoming isooctyl laurate (CHEBI:143015) has functional parent 6-methylheptan-1-ol (CHEBI:44009)
IUPAC Name
6-methylheptan-1-ol
Synonyms Sources
6-methyl-1-heptanol NIST Chemistry WebBook
6-methylheptanol NIST Chemistry WebBook
Manual Xref Database
MHN PDBeChem
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Registry Numbers Types Sources
1653-40-3 CAS Registry Number NIST Chemistry WebBook
1653-40-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
29856754 PubMed citation Europe PMC
Last Modified
07 February 2019