Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:44009 - 6-methylheptan-1-ol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
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.
View more via ChEBI Ontology
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
View more database links
Registry Numbers
Types
Sources
1653-40-3
CAS Registry Number
NIST Chemistry WebBook
1653-40-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
29856754
PubMed citation
Europe PMC
Last Modified
07 February 2019