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

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(3R)-3-hydroxy-4-oxobutanoate

	Properties	Image
MNX_ID	MNXM148316
reference	chebi:138809
formula	C₄H₅O₄
global charge	-1
mol weight	117.08
InChIKey	QWHDXIUUXWGQME-GSVOUGTGSA-M
InChI	InChI=1S/C4H6O4/c5-2-3(6)1-4(7)8/h2-3,6H,1H2,(H,7,8)/p-1/t3-/m1/s1
SMILES	O=C[C@H](O)CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C4H6O4/c5-2-3(6)1-4(7)8/h2-3,6H,1H2,(H,7,8)/t3-/m1/s1
SMILES (mnx)	[CH2:1]([C@H:3]([CH:2]=[O:5])[OH:6])[C:4](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138809 chebi:138809 QWHDXIUUXWGQME-GSVOUGTGSA-M	(3R)-3-hydroxy-4-oxobutanoate L-malic semialdehyde(1-)
kegg.compound:C21761 keggC:C21761 QWHDXIUUXWGQME-GSVOUGTGSA-N	(3R)-3-Hydroxy-4-oxobutanoate
seed.compound:cpd33360 seedM:cpd33360 QWHDXIUUXWGQME-GSVOUGTGSA-M	(3R)-3-hydroxy-4-oxobutanoate L-malic semialdehyde
CHEBI:138888 chebi:138888 QWHDXIUUXWGQME-GSVOUGTGSA-N	(R)-3-hydroxy-4-oxobutanoic acid (3R)-3-hydroxy-4-oxobutyric acid L-malic semialdehyde
seed.compound:cpd24586 seedM:cpd24586 QWHDXIUUXWGQME-UHFFFAOYSA-M	D,L-malic semialdehyde
metacyc.compound:CPD-5682 metacycM:CPD-5682 QWHDXIUUXWGQME-UHFFFAOYSA-M	D,L-malic semialdehyde 3-hydroxy-4-oxobutanoate
metacyc.compound:CPD-16618 metacycM:CPD-16618 QWHDXIUUXWGQME-GSVOUGTGSA-M	L-malic semialdehyde (3R)-3-hydroxy-4-oxobutanoate
envipath:...da41a2e50533 envipathM:...da41a2e50533 QWHDXIUUXWGQME-UHFFFAOYSA-M	compound 0044431
keggC:M_C21761 seedM:M_cpd24586 seedM:M_cpd33360	secondary/obsolete/fantasy identifier