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:43003 - heptan-1-ol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
heptan-1-ol
ChEBI ID
CHEBI:43003
Definition
A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from
Capillipedium parviflorum
.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:88619
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C7H16O
Net Charge
0
Average Mass
116.202
Monoisotopic Mass
116.12012
InChI
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey
BBMCTIGTTCKYKF-UHFFFAOYSA-N
SMILES
C(CCCCCC)O
Metabolite of Species
Details
Capillipedium parviflorum
(NCBI:txid79829)
Found in aerial part
(BTO:0001658)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Roles Classification
Biological Role
(s):
gap junctional intercellular communication inhibitor
An inhibitor that interferes with the process of gap junctional intercellular communication.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application
(s):
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
1-heptanol
ChemIDplus
1-hydroxy heptane
ChemIDplus
alcohol C-7
ChemIDplus
enanthic alcohol
ChemIDplus
enanthyl alcohol
ChemIDplus
FEMA 2548
HMDB
gentanol
ChemIDplus
heptan-1-ol
UniProt
heptane-1-ol
ChEBI
heptanol
MetaCyc
heptyl alcohol
MetaCyc
hydroxy heptane
ChemIDplus
n
-heptan-1-ol
ChemIDplus
n
-heptanol
ChemIDplus
n
-heptanol-1
ChemIDplus
n
-heptyl alcohol
ChemIDplus
Manual Xrefs
Databases
1-Heptanol
Wikipedia
C00035700
KNApSAcK
CPD-9057
MetaCyc
FDB008053
FooDB
HE4
PDBeChem
HMDB0031479
HMDB
LMFA05000122
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
111-70-6
CAS Registry Number
ChemIDplus
111-70-6
CAS Registry Number
NIST Chemistry WebBook
1731686
Beilstein Registry Number
Beilstein
Citations
Types
Sources
15279990
PubMed citation
Europe PMC
16320719
PubMed citation
Europe PMC
20055983
PubMed citation
Europe PMC
20120041
PubMed citation
Europe PMC
34710478
PubMed citation
Europe PMC
37626879
PubMed citation
Europe PMC
37769558
PubMed citation
Europe PMC
Last Modified
25 October 2023