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3-dehydroshikimate

Properties

Image

Occurences in reactions

MNX_ID

MNXM611

	#reac
in my sandbox	0
in MNXref (generic)	22
in models (compartimentalized)	9

formula

C₇H₇O₅

charge

-1

mass

171.0299

reference

InChIKey

SLWWJZMPHJJOPH-PHDIDXHHSA-M

InChI

InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/p-1/t5-,6-/m1/s1

SMILES

O=C([O-])C1=CC(=O)[C@@H](O)[C@H](O)C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-964941 reactomeM:R-ALL-964941 CHEBI:16630 chebi:16630	3-dehydroshikimate (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate
sabiork.compound:27313 sabiorkM:27313	(-)-3-Dehydroshikimate
bigg.metabolite:3dhsk biggM:3dhsk sabiork.compound:6290 sabiorkM:6290 envipath:...22c169396f03 envipathM:...22c169396f03 kegg.compound:C02637 keggC:C02637	3-Dehydroshikimate
seed.compound:cpd01716 seedM:cpd01716	3-Dehydroshikimate 3-dehydro-shikimate 3-dehydroshikimate 3-dehydroshikimic acid 3dhsk 5-dehydroshikimate 5-dehydroshikimic acid
metacyc.compound:3-DEHYDRO-SHIKIMATE metacycM:3-DEHYDRO-SHIKIMATE	3-dehydroshikimate 3-dehydroshikimic acid 5-dehydroshikimate 5-dehydroshikimic acid
CHEBI:30918 chebi:30918	3-dehydroshikimic acid (-)-3-dehydroshikimic acid (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid 3-Dehydroshikimate 5-Dehydroshikimate 5-dehydroshikimic acid
CHEBI:177846 chebi:177846	4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylic acid 4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid
chebi:11782 chebi:12123 chebi:1488 chebi:19998 chebi:19999 chebi:2052 chebi:20566 chebi:42005 biggM:M_3dhsk keggC:M_C02637 seedM:M_cpd01716	secondary/obsolete/fantasy identifier