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

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2-hydroxy-5-methyl-cis,cis-muconic acid

	Properties	Image
MNX_ID	MNXM5467
reference	chebi:28249
formula	C₇H₈O₅
global charge	0
mol weight	172.136
InChIKey	PQXOJASKFLIATD-VOERYJCWSA-N
InChI	InChI=1S/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-3,8H,1H3,(H,9,10)(H,11,12)/b4-2-,5-3+
SMILES	C/C(=C/C=C(/O)C(=O)O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-3,8H,1H3,(H,9,10)(H,11,12)/b4-2-,5-3+
SMILES (mnx)	[CH3:1]/[C:4](=[CH:2]/[CH:3]=[C:5](\[C:7](=[O:11])[OH:12])[OH:8])[C:6](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28249 chebi:28249 PQXOJASKFLIATD-VOERYJCWSA-N	2-hydroxy-5-methyl-cis,cis-muconic acid (2E,4Z)-2-hydroxy-5-methylhexa-2,4-dienedioic acid (2E,4Z)-5-methyl-2-hydroxy-2,4-hexadiene-1,6-dioic acid
bigg.metabolite:hmccm biggM:hmccm kegg.compound:C07478 keggC:C07478 PQXOJASKFLIATD-VOERYJCWSA-N	2-Hydroxy-5-methyl-cis,cis-muconate
seed.compound:cpd04651 seedM:cpd04651 PQXOJASKFLIATD-VOERYJCWSA-N	2-Hydroxy-5-methyl-cis,cis-muconate hmccm
chebi:1130 chebi:19613 biggM:M_hmccm keggC:M_C07478 seedM:M_cpd04651	secondary/obsolete/fantasy identifier