CHEBI:87378 - (2S)-2-heptanol

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ChEBI Name (2S)-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 2S-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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 (2S)-2-heptanol (CHEBI:87378) has role metabolite (CHEBI:25212)
(2S)-2-heptanol (CHEBI:87378) is a heptan-2-ol (CHEBI:88815)
(2S)-2-heptanol (CHEBI:87378) is a secondary fatty alcohol (CHEBI:167095)
IUPAC Name
(2S)-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