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

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(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate

	Properties	Image
MNX_ID	MNXM2750
reference	chebi:57442
formula	C₆H₇O₆
global charge	-1
mol weight	175.116
InChIKey	IMUGYKFHMJLTOU-WVZVXSGGSA-M
InChI	InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/p-1/t3-,5+/m0/s1
SMILES	O=C[C@@H](O)[C@@H](O)CC(=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:3]([C@@H:5]([CH:2]=[O:7])[OH:10])[OH:8])[C:4]([C:6]([OH:11])=[O:12])=[O:9]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57442 chebi:57442 IMUGYKFHMJLTOU-WVZVXSGGSA-M	(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate (4S,5S)-4,5-dihydroxy-2,6-diketohexanoate 4-deoxy-L-erythro-hex-5-ulosuronate
seed.compound:cpd02728 seedM:cpd02728 IMUGYKFHMJLTOU-WVZVXSGGSA-M	(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate 4,5-dihydroxy-2,6-dioxo-hexanoic acid 4-deoxy-L-erythro-5-hexoseulose uronate
kegg.compound:C04471 keggC:C04471 IMUGYKFHMJLTOU-WVZVXSGGSA-N	(4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate 4-Deoxy-L-erythro-hex-5-ulosuronic acid
metacyc.compound:4S5S-45-DIHYDROXY-26-DIOXOHEXANOATE metacycM:4S5S-45-DIHYDROXY-26-DIOXOHEXANOATE IMUGYKFHMJLTOU-WVZVXSGGSA-M	(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate 4,5-dihydroxy-2,6-dioxo-hexanoate 4,5-dihydroxy-2,6-dioxo-hexanoic acid 4-deoxy-L-erythro-5-hexoseulose uronate
CHEBI:15624 chebi:15624 IMUGYKFHMJLTOU-WVZVXSGGSA-N	(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid (4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate 4-deoxy-L-erythro-hex-5-ulosuronic acid
lipidmaps:LMFA01050449 lipidmapsM:LMFA01050449 IMUGYKFHMJLTOU-WVZVXSGGSA-N	(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid 4-deoxy-L-erythro-hex-5-ulosuronic acid FA 6:2 O4
chebi:10902 chebi:18581 chebi:231 keggC:M_C04471 seedM:M_cpd02728	secondary/obsolete/fantasy identifier