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

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cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate

	Properties	Image
MNX_ID	MNXM1917
reference	chebi:58237
formula	C₈H₆O₆
global charge	-2
mol weight	198.13
InChIKey	MFSRJRFDIILHFC-OLQVQODUSA-L
InChI	InChI=1S/C8H8O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,5-6,9-10H,(H,11,12)(H,13,14)/p-2/t5-,6+
SMILES	O=C([O-])C1=C[C@@H](O)[C@@H](O)C=C1C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H8O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,5-6,9-10H,(H,11,12)(H,13,14)/t5-,6+
SMILES (mnx)	[CH:1]1=[C:3]([C:7](=[O:11])[OH:12])[C:4]([C:8](=[O:13])[OH:14])=[CH:2][C@@H:6]([OH:10])[C@H:5]1[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58237 chebi:58237 MFSRJRFDIILHFC-OLQVQODUSA-L	cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate dianion cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2-) rel-(4R,5S)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate
envipath:...1f04c9244743 envipathM:...1f04c9244743 MFSRJRFDIILHFC-OLQVQODUSA-L	Phthalate-4,5-cis-dihydrodiol
seed.compound:cpd02906 seedM:cpd02906 MFSRJRFDIILHFC-OLQVQODUSA-L	Phthalate-4,5-cis-dihydrodiol cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate cis-4,5-dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate phthalate 4,5-cis-dihydrodiol phthalate-4,5-cis-dihydrodiol
kegg.compound:C04783 keggC:C04783 MFSRJRFDIILHFC-OLQVQODUSA-N	cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate Phthalate-4,5-cis-dihydrodiol
CHEBI:17692 chebi:17692 MFSRJRFDIILHFC-OLQVQODUSA-N	cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid Phthalate-4,5-cis-dihydrodiol cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate rel-(4R,5S)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
metacyc.compound:CPD-12651 metacycM:CPD-12651 MFSRJRFDIILHFC-OLQVQODUSA-L	phthalate 4,5-cis-dihydrodiol cis-4,5-dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate phthalate-4,5-cis-dihydrodiol
chebi:10476 chebi:12804 chebi:26091 keggC:M_C04783 seedM:M_cpd02906	secondary/obsolete/fantasy identifier