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

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

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(1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid

	Properties	Image
MNX_ID	MNXM162721
reference	chebi:1277
formula	C₁₁H₁₂O₆
global charge	0
mol weight	240.211
InChIKey	QJYRAJSESKVEAE-SCZZXKLOSA-N
InChI	InChI=1S/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8-,10+/m1/s1
SMILES	O=C(O)CCC(=O)C1=CC=C[C@@H](O)[C@H]1C(=O)O

MNX internals

InChI (mnx)	InChI=1/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)/t8-,10+/m1/s1
SMILES (mnx)	[C@@H:1]1([C:8]([OH:12])=[O:13])[C@H:2]([CH3:11])[CH:6]=[CH:5][CH:4]=[C:3]1[C:7]([CH2:9][O:14][O:15](=[O:16])[OH:17])=[CH2:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:1277 chebi:1277 QJYRAJSESKVEAE-SCZZXKLOSA-N	(1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid (1S,6R)-2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
CHEBI:57272 chebi:57272 QJYRAJSESKVEAE-SCZZXKLOSA-L	(1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate(2-) (1S,6R)-2-(3-carboxylatopropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylate
seed.compound:cpd28162 seedM:cpd28162 QJYRAJSESKVEAE-SCZZXKLOSA-L	(1S,6R)-2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate (1S,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate 2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate
metacyc.compound:SUCCINYL-OH-CYCLOHEXADIENE-COOH metacycM:SUCCINYL-OH-CYCLOHEXADIENE-COOH QJYRAJSESKVEAE-SCZZXKLOSA-L	(1S,6R)-2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate (1S,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate SHCHC
bigg.metabolite:2shchc biggM:2shchc vmhM:2shchc vmhM:2shchc vmhmetabolite:2shchc vmhmetabolite:2shchc QJYRAJSESKVEAE-UHFFFAOYSA-L	2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate
CHEBI:11656 chebi:11656 QJYRAJSESKVEAE-UHFFFAOYSA-N	2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid 2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
biggM:M_2shchc seedM:M_cpd28162 vmhM:M_2shchc	secondary/obsolete/fantasy identifier