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isochorismate

Properties

Image

Occurences in reactions

MNX_ID

MNXM799

	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	15

formula

C₁₀H₈O₆

charge

-2

mass

224.03319

reference

InChIKey

NTGWPRCCOQCMGE-YUMQZZPRSA-L

InChI

InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m0/s1

SMILES

C=C(O[C@H]1C=CC=C(C(=O)[O-])[C@@H]1O)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29780 chebi:29780	isochorismate (5S,6S)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylate Isochorismate isochorismate(2-)
bigg.metabolite:ichor biggM:ichor SLM:000485363 slm:000485363	Isochorismate
sabiork.compound:5298 sabiorkM:5298 kegg.compound:C00885 keggC:C00885	Isochorismate Isochorismic acid
seed.compound:cpd00658 seedM:cpd00658	Isochorismate Isochorismic acid ichor isochorismate
metacyc.compound:ISOCHORISMATE metacycM:ISOCHORISMATE	isochorismate Isochorismic acid
CHEBI:17582 chebi:17582	isochorismic acid (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid Isochorismic acid
chebi:14464 chebi:24883 chebi:5997 biggM:M_ichor keggC:M_C00885 seedM:M_cpd00658	secondary/obsolete/fantasy identifier