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:87378 - (2
S
)-2-heptanol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(2
S
)-2-heptanol
ChEBI ID
CHEBI:87378
ChEBI ASCII Name
(2S)-2-heptanol
Definition
A secondary alcohol that is heptane substituted by a hydroxy group at position 2 (the 2
S
-stereoisomer).
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
Formula
C7H16O
Net Charge
0
Average Mass
116.20130
Monoisotopic Mass
116.12012
InChI
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKey
CETWDUZRCINIHU-ZETCQYMHSA-N
SMILES
CCCCC[C@H](C)O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via
heptan-2-ol
)
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
heptan-2-ol
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(2
S
)-2-heptanol (
CHEBI:87378
)
has role
metabolite (
CHEBI:25212
)
(2
S
)-2-heptanol (
CHEBI:87378
)
is a
heptan-2-ol (
CHEBI:88815
)
(2
S
)-2-heptanol (
CHEBI:87378
)
is a
secondary fatty alcohol (
CHEBI:167095
)
IUPAC Name
(2
S
)-heptan-2-ol
Synonym
Source
(
S
)-2-hydroxyheptane
ChEBI
Registry Numbers
Types
Sources
1719089
Reaxys Registry Number
Reaxys
6033-23-4
CAS Registry Number
ChemIDplus
6033-23-4
CAS Registry Number
NIST Chemistry WebBook
Last Modified
25 October 2023