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

PropertiesImage
MNX_IDMNXM2927 Image of MNXM2927
referencechebi:28027
formulaC7H8O4
global charge0
mol weight156.137
InChIKeyADNFTGVUUFRKSK-JGDUWUCISA-N
InChIInChI=1S/C7H8O4/c1-5(4-8)2-3-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b5-2-,6-3+
SMILESC/C(C=O)=C/C=C(/O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C7H8O4/c1-5(4-8)2-3-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b5-2-,6-3+ Image of MNXM2927
SMILES (mnx)[CH3:1]/[C:5](=[CH:2]/[CH:3]=[C:6](\[C:7](=[O:10])[OH:11])[OH:9])[CH:4]=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28027
chebi:28027
ADNFTGVUUFRKSK-JGDUWUCISA-N
2-hydroxy-5-methyl-cis,cis-muconic semialdehyde
(2E,4Z)-2-Hydroxy-5-methyl-6-oxohexa-2,4-dienoate
(2E,4Z)-2-hydroxy-5-methyl-6-oxohexa-2,4-dienoic acid
2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde

bigg.metabolite:hmccms
biggM:hmccms
envipath:...9c889691c479
envipathM:...9c889691c479
vmhM:2h5mmsaldh
vmhmetabolite:2h5mmsaldh
ADNFTGVUUFRKSK-JGDUWUCISA-M
ADNFTGVUUFRKSK-JGDUWUCISA-N
2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde

kegg.compound:C06760
keggC:C06760
ADNFTGVUUFRKSK-JGDUWUCISA-N
2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde
(2E,4Z)-2-Hydroxy-5-methyl-6-oxohexa-2,4-dienoate

seed.compound:cpd04139
seedM:cpd04139
ADNFTGVUUFRKSK-JGDUWUCISA-N
2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde
(2E,4Z)-2-Hydroxy-5-methyl-6-oxohexa-2,4-dienoate
2-hydroxy-5-methylmuconate semialdehyde
hmccms

chebi:1131
chebi:19614
biggM:M_hmccms
keggC:M_C06760
seedM:M_cpd04139
vmhM:M_2h5mmsaldh
secondary/obsolete/fantasy identifier