MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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chorismate

	Properties	Image
MNX_ID	MNXM337
reference	chebi:29748
formula	C₁₀H₈O₆
global charge	-2
mol weight	224.168
InChIKey	WTFXTQVDAKGDEY-HTQZYQBOSA-L
InChI	InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/p-2/t7-,8-/m1/s1
SMILES	C=C(O[C@@H]1C=C(C(=O)[O-])C=C[C@H]1O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
SMILES (mnx)	[CH2:1]=[C:5]([C:9](=[O:12])[OH:13])[O:16][C@@H:8]1[CH:4]=[C:6]([C:10](=[O:14])[OH:15])[CH:2]=[CH:3][C@H:7]1[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	39
in models (compartimentalized)	30

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29748 chebi:29748 WTFXTQVDAKGDEY-HTQZYQBOSA-L	chorismate (3R,4R)-3-[(1-carboxylatoethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate chorismate(2-)
bigg.metabolite:chor biggM:chor SLM:000485362 slm:000485362 WTFXTQVDAKGDEY-HTQZYQBOSA-L WTFXTQVDAKGDEY-UHFFFAOYSA-L	Chorismate
hmdb:HMDB0012199 WTFXTQVDAKGDEY-HTQZYQBOSA-N	Chorismate (-)-Chorismic acid (3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid (3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate (3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (3R,4R)-3-[(1-Carboxyvinyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate (3R,4R)-3-[(1-Carboxyvinyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (3R,4R)-3-[(1-carboxyeth-1-en-1-yl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (3R-trans)-3-((1-Carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylate (3R-trans)-3-((1-Carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid (3R-trans)-3-(1-Carboxyvinyloxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid Acid, chorismic Chorismic acid chorismic acid
kegg.compound:C00251 keggC:C00251 WTFXTQVDAKGDEY-HTQZYQBOSA-N	Chorismate (3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate Chorismic acid
seed.compound:cpd00216 seedM:cpd00216 WTFXTQVDAKGDEY-HTQZYQBOSA-L	Chorismate (3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate Chorismic acid chor chorismate chorismic acid
sabiork.compound:1992 sabiorkM:1992 WTFXTQVDAKGDEY-HTQZYQBOSA-N	Chorismate Chorismic acid
vmhM:chor vmhmetabolite:chor WTFXTQVDAKGDEY-HTQZYQBOSA-L	chorismate (3R,4R)-3-[(1-carboxyeth-1-en-1-yl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
metacyc.compound:CHORISMATE metacycM:CHORISMATE WTFXTQVDAKGDEY-HTQZYQBOSA-L	chorismate (3R,4R)-3-[(1-carboxylatoethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate chorismic acid
reactome:R-ALL-964856 reactomeM:R-ALL-964856 CHEBI:17333 chebi:17333 WTFXTQVDAKGDEY-HTQZYQBOSA-N	chorismic acid (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (3R,4R)-3-[(1-carboxyvinyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid (3R-trans)-3-((1-carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid Chorismic acid
hmdb:HMDB12199 chebi:13993 chebi:23225 chebi:23227 chebi:3677 biggM:M_chor keggC:M_C00251 seedM:M_cpd00216 vmhM:M_chor	secondary/obsolete/fantasy identifier