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CHEBI:179954 - 5R-Hydroxy-4S-methylheptan-3-one

ChEBI IDCHEBI:179954
ChEBI Name5R-Hydroxy-4S-methylheptan-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
SMILESCCC(=O)[C@@H](C)[C@H](O)CC
InChIInChI=1S/C8H16O2/c1-4-7(9)6(3)8(10)5-2/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyGEZUGFBWAPDBGZ-NKWVEPMBSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
137126ChemSpider
LMFA12000093LIPID MAPS
Registry NumbersSources
CAS:71699-35-9ChemIDplus