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

ChEBI IDCHEBI:87378
ChEBI Name(2S)-2-heptanol
Stars
ASCII Name(2S)-2-heptanol
DefinitionA secondary alcohol that is heptane substituted by a hydroxy group at position 2 (the 2S-stereoisomer).
Last Modified25 October 2023
Submitternamrata
DownloadsMolfile
FormulaC7H16O
Net Charge0
Average Mass116.204
Monoisotopic Mass116.12012
SMILESCCCCC[C@H](C)O
InChIInChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyCETWDUZRCINIHU-ZETCQYMHSA-N
Roles Classification
Biological Roles:
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(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-hydroxyheptaneChEBI
Registry NumbersSources
Reaxys:1719089Reaxys
CAS:6033-23-4ChemIDplus
CAS:6033-23-4NIST Chemistry WebBook