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CHEBI:184950 - 4-(Hydroxymethyl)-2-pentanone

Default Structure
ChEBI IDCHEBI:184950
ChEBI Name4-(Hydroxymethyl)-2-pentanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H12O2
Net Charge0
Average Mass116.160
Monoisotopic Mass116.08373
SMILESCC(=O)CC(C)CO
InChIInChI=1S/C6H12O2/c1-5(4-7)3-6(2)8/h5,7H,3-4H2,1-2H3
InChIKeyNZBRXFKHZBOFBW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
4-(Hydroxymethyl)-2-pentanone (CHEBI:184950) is a ketone (CHEBI:17087)
IUPAC Name 
5-hydroxy-4-methylpentan-2-one
Manual XrefsDatabases
456442ChemSpider