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prephenate

MNXM503 is deprecated and here replaced by MNXM737312
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM737312 Image of MNXM737312
referencechebi:29934
formulaC10H8O6
global charge-2
mol weight224.168
InChIKeyFPWMCUPFBRFMLH-XGAOUMNUSA-L
InChIInChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/p-2/t6-,10+
SMILESO=C([O-])C(=O)C[C@]1(C(=O)[O-])C=C[C@@H](O)C=C1
MNX internals
InChI (mnx)InChI=1/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+ Image of MNXM737312
SMILES (mnx)[CH:1]1=[CH:3][C@@:10]([CH2:5][C:7]([C:8]([OH:13])=[O:14])=[O:12])([C:9](=[O:15])[OH:16])[CH:4]=[CH:2][C@H:6]1[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 15
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29934
chebi:29934
FPWMCUPFBRFMLH-XGAOUMNUSA-L 		prephenate
(1s,4s)-1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate
(1s,4s)-prephenate(2-)
cis-1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate
cis-prephenate

CHEBI:84387
chebi:84387
FPWMCUPFBRFMLH-XGAOUMNUSA-N 		(1s,4s)-prephenic acid
(1s,4s)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Prephenic acid, cis
cis-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
cis-1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid
cis-prephenic acid

bigg.metabolite:pphn
biggM:pphn
SLM:000485365
slm:000485365
FPWMCUPFBRFMLH-UHFFFAOYSA-L
FPWMCUPFBRFMLH-XGAOUMNUSA-L 		Prephenate
hmdb:HMDB0012283
FPWMCUPFBRFMLH-XGAOUMNUSA-N 		Prephenate
(1S,4S)-Prephenate
(1s,4s)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-pyruvic acid
1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid
1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propionic acid
PPA
Prephenate, cis
Prephenic acid
Prephenic acid, cis
cis-1-Carboxy-4-hydroxy-a-oxo-2,5-cyclohexadiene-1-propanoate
cis-1-Carboxy-4-hydroxy-a-oxo-2,5-cyclohexadiene-1-propanoic acid
cis-1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoate
cis-1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid
cis-1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propionic acid
cis-Prephenate
cis-Prephenic acid
prephenic acid

vmhM:pphn
vmhmetabolite:pphn
FPWMCUPFBRFMLH-XGAOUMNUSA-L 		Prephenate
(1s,4s)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid

sabiork.compound:1995
sabiorkM:1995
kegg.compound:C00254
keggC:C00254
FPWMCUPFBRFMLH-XGAOUMNUSA-L
FPWMCUPFBRFMLH-XGAOUMNUSA-N 		Prephenate
Prephenic acid

seed.compound:cpd00219
seedM:cpd00219
FPWMCUPFBRFMLH-XGAOUMNUSA-L 		Prephenate
Prephenic acid
pphn
prephenate
prephenate-phe
prephenate-tyr

CHEBI:57852
chebi:57852
FPWMCUPFBRFMLH-UHFFFAOYSA-L 		prephenate(2-)
1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate
prephenate
prephenate dianion

metacyc.compound:PREPHENATE
metacycM:PREPHENATE
FPWMCUPFBRFMLH-XGAOUMNUSA-L 		prephenate
Prephenic acid

CHEBI:16666
chebi:16666
FPWMCUPFBRFMLH-UHFFFAOYSA-N 		prephenic acid
1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-pyruvic acid
1-carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid
PREPHENIC ACID
Prephenic acid

hmdb:HMDB12283
chebi:14884
chebi:26256
chebi:26257
chebi:45028
chebi:8399
biggM:M_pphn
keggC:M_C00254
seedM:M_cpd00219
vmhM:M_pphn 		secondary/obsolete/fantasy identifier