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3-dehydroquinate

PropertiesImageOccurences in reactions
MNX_IDMNXM736874Image of MNXM736874
#reac
in my sandbox 0
in MNXref (generic)25
in models (compartimentalized) 12
formulaC7H9O6
charge-1
mass189.04046
referencechebi:32364
InChIKeyWVMWZWGZRAXUBK-SYTVJDICSA-M
InChIInChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/p-1/t3-,5+,7-/m1/s1
SMILESO=C1C[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]1O
Parent-child relations graph
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Similar chemical compounds in external resources
IdentifierDescription
reactome:R-ALL-964921
reactomeM:R-ALL-964921
CHEBI:32364
chebi:32364
3-dehydroquinate
3-Dehydroquinate
5-Dehydroquinate
rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate
sabiork.compound:27311
sabiorkM:27311
(-)-3-Dehydroquinate
CHEBI:177449
chebi:177449
1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid
1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
bigg.metabolite:3dhq
biggM:3dhq
envipath:...302d1e14344a
envipathM:...302d1e14344a
3-Dehydroquinate
sabiork.compound:5328
sabiorkM:5328
kegg.compound:C00944
keggC:C00944
3-Dehydroquinate
3-Dehydroquinic acid
5-Dehydroquinate
5-Dehydroquinic acid
hmdb:HMDB0012710 3-Dehydroquinic acid
(1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid
(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid
1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid
3-dehydroquinic acid
5-Dehydroquinate
5-Dehydroquinic acid
Cyclohexan-1,4,5-triol-3-one-1-carboxylic acid
metacyc.compound:DEHYDROQUINATE
metacycM:DEHYDROQUINATE
3-dehydroquinate
3-dehydroquinic acid
5-de-H-quinate
5-dehydroquinate
5-dehydroquinic acid
rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate
CHEBI:17947
chebi:17947
3-dehydroquinic acid
3-Dehydroquinic acid
5-Dehydroquinic acid
rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylic acid
seed.compound:cpd00699
seedM:cpd00699
5-Dehydroquinate
3-Dehydroquinate
3-Dehydroquinic acid
3-dehydroquinate
3-dehydroquinic acid
3dhq
5-Dehydroquinic acid
5-de-H-quinate
5-dehydroquinate
5-dehydroquinic acid
rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate
hmdb:HMDB12710
chebi:11781
chebi:12122
chebi:1487
chebi:19997
chebi:42078
biggM:M_3dhq
keggC:M_C00944
seedM:M_cpd00699
secondary/obsolete/fantasy identifier