MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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4-hydroxyhexan-3-one

	Properties	Image
MNX_ID	MNXM4367
reference	chebi:18351
formula	C₆H₁₂O₂
global charge	0
mol weight	116.16
InChIKey	SKCYVGUCBRYGTE-UHFFFAOYSA-N
InChI	InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
SMILES	CCC(=O)C(O)CC

MNX internals

InChI (mnx)	InChI=1/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3/t5?
SMILES (mnx)	[CH3:1][CH2:3][CH:5]([C:6]([CH2:4][CH3:2])=[O:8])[OH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18351 chebi:18351 SKCYVGUCBRYGTE-UHFFFAOYSA-N	4-hydroxyhexan-3-one 4-Hydroxy-3-hexanone 4-Hydroxyhexan-3-one Propioin
lipidmaps:LMFA12000029 lipidmapsM:LMFA12000029 SKCYVGUCBRYGTE-UHFFFAOYSA-N	4-Hydroxyhexan-3-one 3-Hydroxyhexan-4-one 4-Hydroxyhexan-3-one
kegg.compound:C02948 keggC:C02948 SKCYVGUCBRYGTE-UHFFFAOYSA-N	4-Hydroxyhexan-3-one 4-Hydroxy-3-hexanone Propioin
metacyc.compound:CPD-1132 metacycM:CPD-1132 SKCYVGUCBRYGTE-UHFFFAOYSA-N	4-hydroxyhexan-3-one 4-Hydroxy-3-hexanone Propioin
sabiork.compound:2602 sabiorkM:2602 SKCYVGUCBRYGTE-UHFFFAOYSA-N	Propioin 4-Hydroxy-3-hexanone 4-Hydroxyhexan-3-one
seed.compound:cpd01891 seedM:cpd01891 SKCYVGUCBRYGTE-UHFFFAOYSA-N	Propioin 4-Hydroxy-3-hexanone 4-Hydroxyhexan-3-one 4-hydroxyhexan-3-one
chebi:11995 chebi:1866 chebi:20379 keggC:M_C02948 seedM:M_cpd01891	secondary/obsolete/fantasy identifier