**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

isochorismate

Properties Image MNX_ID MNXM799 reference chebi:29780 formula C10H8O6 global charge -2 mol weight 224.168 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-] MNX internals InChI (mnx) InChI=1/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)/t7-,8-/m0/s1 SMILES (mnx) [CH:1]1=[CH:4][CH:5]=[C:3]([C:8]([CH3:9])=[CH2:10])[O:15]([OH:16])[C@@H:2]1[CH2:6][C:7]([O:11](=[O:13])[OH:14])=[O:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 13

Similar chemical compounds in external resources

Identifier	Description
CHEBI:29780 chebi:29780 NTGWPRCCOQCMGE-YUMQZZPRSA-L	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 vmhM:ichor vmhM:ichor vmhmetabolite:ichor vmhmetabolite:ichor NTGWPRCCOQCMGE-UHFFFAOYSA-L NTGWPRCCOQCMGE-YUMQZZPRSA-L	Isochorismate
sabiork.compound:5298 sabiorkM:5298 kegg.compound:C00885 keggC:C00885 NTGWPRCCOQCMGE-YUMQZZPRSA-L NTGWPRCCOQCMGE-YUMQZZPRSA-N	Isochorismate Isochorismic acid
seed.compound:cpd00658 seedM:cpd00658 NTGWPRCCOQCMGE-YUMQZZPRSA-L	Isochorismate Isochorismic acid ichor isochorismate
hmdb:HMDB0304395 NTGWPRCCOQCMGE-YUMQZZPRSA-N	isochorismate (5S,6S)-5-[(1-carboxyeth-1-en-1-yl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid 5-((1-Carboxyethenyl)oxy)-6-hydroxy-1,3-cyclohexadiene-1-carboxylic acid Iso-chorismic acid Isochorismate Isochorismic acid isochorismic acid
metacyc.compound:ISOCHORISMATE metacycM:ISOCHORISMATE NTGWPRCCOQCMGE-YUMQZZPRSA-L	isochorismate Isochorismic acid
CHEBI:17582 chebi:17582 NTGWPRCCOQCMGE-YUMQZZPRSA-N	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 vmhM:M_ichor	secondary/obsolete/fantasy identifier