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3-dehydro-2-deoxy-D-gluconate

PropertiesImage
MNX_IDMNXM3482 Image of MNXM3482
referencechebi:57839
formulaC6H9O6
global charge-1
mol weight177.132
InChIKeyCNLFCQPCBQQMHK-XINAWCOVSA-M
InChIInChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h4,6-7,9,12H,1-2H2,(H,10,11)/p-1/t4-,6+/m1/s1
SMILESO=C([O-])CC(=O)[C@H](O)[C@H](O)CO
MNX internals
InChI (mnx)InChI=1/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h4,6-7,9,12H,1-2H2,(H,10,11)/t4-,6+/m1/s1 Image of MNXM3482
SMILES (mnx)[CH2:1]([C:3]([C@@H:6]([C@@H:4]([CH2:2][OH:7])[OH:9])[OH:12])=[O:8])[C:5](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57839
chebi:57839
CNLFCQPCBQQMHK-XINAWCOVSA-M 		3-dehydro-2-deoxy-D-gluconate
2-deoxy-D-erythro-hex-3-ulosonate
3-dehydro-2-deoxy-D-gluconate cation
3-dehydro-2-deoxy-D-gluconate(1-)

bigg.metabolite:3ddgc
biggM:3ddgc
kegg.compound:C03926
keggC:C03926
vmhM:3ddgc
vmhmetabolite:3ddgc
CNLFCQPCBQQMHK-XINAWCOVSA-N 		3-Dehydro-2-deoxy-D-gluconate

seed.compound:cpd02441
seedM:cpd02441
CNLFCQPCBQQMHK-XINAWCOVSA-M 		3-Dehydro-2-deoxy-D-gluconate
2-deoxy-3-dehydro-D-gluconate
2-deoxy-3-ketogluconate
2-deoxy-3-oxogluconate
3-dehydro-2-deoxy-D-gluconate
3-dehydro-2-deoxy-gluconate
3ddgc
de-O-K-gluconate
deoxy-ketogluconate

metacyc.compound:DE-O-K-GLUCONATE
metacycM:DE-O-K-GLUCONATE
CNLFCQPCBQQMHK-XINAWCOVSA-M 		3-dehydro-2-deoxy-D-gluconate
2-deoxy-3-dehydro-D-gluconate
2-deoxy-3-ketogluconate
2-deoxy-3-oxogluconate
3-dehydro-2-deoxy-gluconate
de-O-K-gluconate
deoxy-ketogluconate

CHEBI:16622
chebi:16622
CNLFCQPCBQQMHK-XINAWCOVSA-N 		3-dehydro-2-deoxy-D-gluconic acid
2-deoxy-D-erythro-hex-3-ulosonic acid
3-Dehydro-2-deoxy-D-gluconate
3-dehydro-2-deoxy-D-gluconate

chebi:11774
chebi:1481
chebi:19990
biggM:M_3ddgc
keggC:M_C03926
seedM:M_cpd02441
vmhM:M_3ddgc 		secondary/obsolete/fantasy identifier