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

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2-dehydro-3-deoxy-D-gluconate

	Properties	Image
MNX_ID	MNXM440
reference	chebi:57990
formula	C₆H₉O₆
global charge	-1
mol weight	177.132
InChIKey	WPAMZTWLKIDIOP-WVZVXSGGSA-M
InChI	InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/p-1/t3-,5+/m0/s1
SMILES	O=C([O-])C(=O)C[C@H](O)[C@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:3]([C@@H:5]([CH2:2][OH: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)	22
in models (compartimentalized)	17

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57990 chebi:57990 WPAMZTWLKIDIOP-WVZVXSGGSA-M	2-dehydro-3-deoxy-D-gluconate 2-dehydro-3-deoxy-D-gluconate anion 2-dehydro-3-deoxy-D-gluconate(1-) 3-deoxy-D-erythro-hex-2-ulosonate
bigg.metabolite:2ddglcn biggM:2ddglcn vmhM:2ddglcn vmhmetabolite:2ddglcn WPAMZTWLKIDIOP-WVZVXSGGSA-M	2-Dehydro-3-deoxy-D-gluconate
kegg.compound:C00204 keggC:C00204 WPAMZTWLKIDIOP-WVZVXSGGSA-N	2-Dehydro-3-deoxy-D-gluconate 2-Dehydro-3-deoxy-D-gluconic acid 2-Keto-3-deoxy-D-gluconate
sabiork.compound:1973 sabiorkM:1973 WPAMZTWLKIDIOP-WVZVXSGGSA-N	2-Dehydro-3-deoxy-D-gluconate 2-Keto-3-deoxy-D-gluconate
sabiork.compound:21127 sabiorkM:21127 WPAMZTWLKIDIOP-WVZVXSGGSA-N	2-Keto-3-deoxy-D-gluconate 2-Keto-3-deoxy-D-gluconic acid
metacyc.compound:2-DEHYDRO-3-DEOXY-D-GLUCONATE metacycM:2-DEHYDRO-3-DEOXY-D-GLUCONATE WPAMZTWLKIDIOP-WVZVXSGGSA-M	2-dehydro-3-deoxy-D-gluconate 2-keto-3-deoxy-D-gluconate 2-keto-3-deoxy-D-gluconic acid 2-keto-3-deoxygluconate 3-deoxy-2-oxo-D-gluconate 3-deoxy-D-erythro-hex-2-ulosonic acid D-KDG D-KDGlu
CHEBI:17032 chebi:17032 WPAMZTWLKIDIOP-WVZVXSGGSA-N	2-dehydro-3-deoxy-D-gluconic acid 2-Dehydro-3-deoxy-D-gluconate 2-Keto-3-deoxy-D-gluconate 2-dehydro-3-deoxy-D-gluconate 3-Deoxy-2-oxo-D-gluconate 3-deoxy-D-erythro-2-hexulosonic acid 3-deoxy-D-erythro-hex-2-ulosonic acid
lipidmaps:LMFA01050475 lipidmapsM:LMFA01050475 WPAMZTWLKIDIOP-WVZVXSGGSA-N	2-dehydro-3-deoxy-D-gluconic acid 3-Deoxy-2-oxo-D-gluconate 3-deoxy-D-erythro-2-hexulosonic acid 3-deoxy-D-erythro-hex-2-ulosonic acid FA 6:1 O4
seed.compound:cpd00176 seedM:cpd00176 WPAMZTWLKIDIOP-WVZVXSGGSA-M	2-keto-3-deoxygluconate 2-Dehydro-3-deoxy-D-gluconate 2-Keto-3-deoxy-D-gluconate 2-dehydro-3-deoxy-D-gluconate 2-keto-3-deoxy-D-gluconate 2-keto-3-deoxy-D-gluconic acid 2ddglcn 3-deoxy-2-oxo-D-gluconate 3-deoxy-D-erythro-hex-2-ulosonic acid KDG
chebi:1059 chebi:11550 chebi:19530 biggM:M_2ddglcn keggC:M_C00204 seedM:M_cpd00176 vmhM:M_2ddglcn	secondary/obsolete/fantasy identifier