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

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5-dehydro-4-deoxy-D-glucarate

	Properties	Image
MNX_ID	MNXM854
reference	chebi:42819
formula	C₆H₆O₇
global charge	-2
mol weight	190.107
InChIKey	QUURPCHWPQNNGL-ZAFYKAAXSA-L
InChI	InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1
SMILES	O=C([O-])C(=O)C[C@H](O)[C@@H](O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/t2-,4+/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:2]([C@H:4]([C:6](=[O:12])[OH:13])[OH:9])[OH:7])[C:3]([C:5]([OH:10])=[O:11])=[O:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
CHEBI:42819 chebi:42819 QUURPCHWPQNNGL-ZAFYKAAXSA-L	5-dehydro-4-deoxy-D-glucarate 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE 3-deoxy-(L)-threo-2-hexulosarate 3-deoxy-L-threo-hex-2-ulosarate 5-Dehydro-4-deoxy-D-glucarate 5-KDG 5-dehydro-4-deoxy-D-glucarate(2-)
bigg.metabolite:5d4dglcr biggM:5d4dglcr	5 Dehydro 4 deoxy D glucarate
bigg.metabolite:5dh4dglc biggM:5dh4dglc QUURPCHWPQNNGL-ZAFYKAAXSA-L	5-Dehydro-4-deoxy-D-glucarate
kegg.compound:C00679 keggC:C00679 QUURPCHWPQNNGL-ZAFYKAAXSA-N	5-Dehydro-4-deoxy-D-glucarate (2R,3S)-2,3-Dihydroxy-5-oxohexanedioate
seed.compound:cpd00515 seedM:cpd00515 QUURPCHWPQNNGL-ZAFYKAAXSA-L	5-Dehydro-4-deoxy-D-glucarate (2R,3S)-2,3-dihydroxy-5-oxohexanedioate 2,3-dihydroxy-5-oxo-hexanedioate 2-keto-L-threo-4,5-dihydroxyadipate 3-deoxy-(L)-threo-2-hexulosarate 3-deoxy-2-keto-L-threo-hexarate 3-deoxy-L-threo-hex-2-ulosarate 5-KDG 5-dehydro-4-deoxy-D-glucarate 5-keto-4-deoxy-D-glucarate 5d4dglcr GLR KGR
sabiork.compound:5177 sabiorkM:5177 QUURPCHWPQNNGL-ZAFYKAAXSA-L	5-Dehydro-4-deoxy-D-glucarate 3-Deoxy-L-threo-2-hexulosarate 3-Deoxy-L-threo-hex-2-ulosaric acid 5-Dehydro-4-deoxy-D-glucaric acid 5-KDGluc
CHEBI:35453 chebi:35453 QUURPCHWPQNNGL-ZAFYKAAXSA-M	5-dehydro-4-deoxy-D-glucarate(1-) hydrogen 3-deoxy-L-threo-hex-2-ulosarate
metacyc.compound:5-KETO-4-DEOXY-D-GLUCARATE metacycM:5-KETO-4-DEOXY-D-GLUCARATE QUURPCHWPQNNGL-ZAFYKAAXSA-L	5-dehydro-4-deoxy-D-glucarate (2R,3S)-2,3-dihydroxy-5-oxohexanedioate 2-keto-L-threo-4,5-dihydroxyadipate 3-deoxy-(L)-threo-2-hexulosarate 3-deoxy-2-keto-L-threo-hexarate 3-deoxy-L-threo-hex-2-ulosarate 5-KDG 5-keto-4-deoxy-D-glucarate GLR KDG KGR
CHEBI:16369 chebi:16369 QUURPCHWPQNNGL-ZAFYKAAXSA-N	5-dehydro-4-deoxy-D-glucaric acid 3-deoxy-L-threo-hex-2-ulosaric acid 5-Dehydro-4-deoxy-D-glucarate
chebi:12117 chebi:2048 chebi:20561 chebi:35454 chebi:42815 chebi:43704 biggM:M_5d4dglcr biggM:M_5dh4dglc keggC:M_C00679 seedM:M_cpd00515	secondary/obsolete/fantasy identifier