CHEBI:179954 - 5R-Hydroxy-4S-methylheptan-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 5R-Hydroxy-4S-methylheptan-3-one
ChEBI ID CHEBI:179954
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/c1-4-7(9)6(3)8(10)5-2/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKey GEZUGFBWAPDBGZ-NKWVEPMBSA-N
SMILES O[C@@H]([C@@H](C(=O)CC)C)CC
ChEBI Ontology
Outgoing 5R-Hydroxy-4S-methylheptan-3-one (CHEBI:179954) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name
(4S,5R)-5-hydroxy-4-methylheptan-3-one
Manual Xrefs Databases
137126 ChemSpider
LMFA12000093 LIPID MAPS
View more database links
Registry Number Type Source
71699-35-9 CAS Registry Number ChemIDplus