CHEBI:179953 - 2S-Hydroxyoctan-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2S-Hydroxyoctan-3-one
ChEBI ID CHEBI:179953
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H16O2
Net Charge 0
Average Mass 144.214
Monoisotopic Mass 144.11503
InChI InChI=1S/C8H16O2/c1-3-4-5-6-8(10)7(2)9/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKey BNHJODMDMOKFFL-ZETCQYMHSA-N
SMILES O[C@H](C(=O)CCCCC)C
ChEBI Ontology
Outgoing 2S-Hydroxyoctan-3-one (CHEBI:179953) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
(2S)-2-hydroxyoctan-3-one
Manual Xrefs Databases
139559 ChemSpider
LMFA12000119 LIPID MAPS
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Registry Number Type Source
84435-13-2 CAS Registry Number ChemIDplus