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

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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	4-(Hydroxymethyl)-2-pentanone

ChEBI ID	CHEBI:184950

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H12O2

Net Charge

Average Mass

116.160

Monoisotopic Mass

116.08373

InChI

InChI=1S/C6H12O2/c1-5(4-7)3-6(2)8/h5,7H,3-4H2,1-2H3

InChIKey

NZBRXFKHZBOFBW-UHFFFAOYSA-N

SMILES

OCC(CC(=O)C)C

Metabolite of Species	Details
Bos taurus (NCBI:txid9913)	Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study

ChEBI Ontology
Outgoing	4-(Hydroxymethyl)-2-pentanone (CHEBI:184950) is a ketone (CHEBI:17087)

IUPAC Name

5-hydroxy-4-methylpentan-2-one