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

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3-deoxy-D-glycero-2,5-hexodiulosonate

	Properties	Image
MNX_ID	MNXM1709
reference	chebi:29071
formula	C₆H₇O₆
global charge	-1
mol weight	175.116
InChIKey	IBGYNIRCYXIAON-VKHMYHEASA-M
InChI	InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,7-8H,1-2H2,(H,11,12)/p-1/t3-/m0/s1
SMILES	O=C([O-])C(=O)C[C@H](O)C(=O)CO

MNX internals

InChI (mnx)	InChI=1/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,7-8H,1-2H2,(H,11,12)/t3-/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:3]([C:5]([CH2:2][OH:7])=[O: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)	4
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29071 chebi:29071 IBGYNIRCYXIAON-VKHMYHEASA-M	3-deoxy-D-glycero-2,5-hexodiulosonate (4S)-4,6-dihydroxy-2,5-dioxohexanoate 3-deoxy-D-glycero-hexo-2,5-diulosonate
kegg.compound:C04349 keggC:C04349 IBGYNIRCYXIAON-VKHMYHEASA-N	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate 2,5-Diketo-3-deoxy-D-gluconate 3-Deoxy-D-glycero-2,5-hexodiulosonate 3-Deoxy-D-glycero-hexo-2,5-diulosonic acid
seed.compound:cpd02663 seedM:cpd02663 IBGYNIRCYXIAON-VKHMYHEASA-M	2,5-Diketo-3-deoxy-D-gluconate (4S)-4,6-Dihydroxy-2,5-dioxohexanoate (4S)-4,6-dihydroxy-2,5-dioxohexanoate 2,5-didehydro-3-deoxy-L-galactonate 2,5-diketo-3-deoxy-D-gluconate 2,5-diketo-3-deoxygluconate 3-Deoxy-D-glycero-2,5-hexodiulosonate 3-deoxy-D-glycero-2,5-hexodiulosonate 46dh25dohxn DKII
metacyc.compound:CPD-343 metacycM:CPD-343 IBGYNIRCYXIAON-VKHMYHEASA-M	3-deoxy-D-glycero-2,5-hexodiulosonate (4S)-4,6-dihydroxy-2,5-dioxohexanoate 2,5-didehydro-3-deoxy-L-galactonate 2,5-diketo-3-deoxy-D-gluconate 2,5-diketo-3-deoxygluconate DKII
CHEBI:15623 chebi:15623 IBGYNIRCYXIAON-VKHMYHEASA-N	3-deoxy-D-glycero-hexo-2,5-diulosonic acid (4S)-4,6-Dihydroxy-2,5-dioxohexanoate (4S)-4,6-dihydroxy-2,5-dioxohexanoic acid 2,5-Diketo-3-deoxy-D-gluconate 3-Deoxy-D-glycero-2,5-hexodiulosonate
lipidmaps:LMFA01050490 lipidmapsM:LMFA01050490 IBGYNIRCYXIAON-VKHMYHEASA-N	3-deoxy-D-glycero-hexo-2,5-diulosonic acid (4S)-4,6-dihydroxy-2,5-dioxohexanoic acid 3-deoxy-D-glycero-2,5-hexodiulosonic acid 3-deoxy-D-glycero-hexo-2,5-diulosonic acid FA 6:2 O4
bigg.metabolite:46dh25dohxn biggM:46dh25dohxn	4S 4 6 Dihydroxy 2 5 dioxohexanoate
chebi:10901 chebi:11790 chebi:18579 chebi:20004 chebi:229 biggM:M_46dh25dohxn keggC:M_C04349 seedM:M_cpd02663	secondary/obsolete/fantasy identifier