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5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate

MNXM164156 is deprecated and here replaced by MNXM730931
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM730931 Image of MNXM730931
referencechebi:58818
formulaC14H13O9
global charge-3
mol weight325.249
InChIKeyXYCATPIYKOARSZ-OAIFWDMCSA-K
InChIInChI=1S/C14H16O9/c1-6(13(19)20)23-9-4-2-7(8(15)3-5-10(16)17)11(12(9)18)14(21)22/h2,4,7,9,11-12,18H,1,3,5H2,(H,16,17)(H,19,20)(H,21,22)/p-3/t7-,9+,11-,12-/m1/s1
SMILESC=C(O[C@H]1C=C[C@H](C(=O)CCC(=O)[O-])[C@@H](C(=O)[O-])[C@@H]1O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C14H16O9/c1-6(13(19)20)23-9-4-2-7(8(15)3-5-10(16)17)11(12(9)18)14(21)22/h2,4,7,9,11-12,18H,1,3,5H2,(H,16,17)(H,19,20)(H,21,22)/t7-,9+,11-,12-/m1/s1 Image of MNXM730931
SMILES (mnx)[CH2:1]=[C:6]([C:13](=[O:19])[OH:20])[O:23][C@H:9]1[CH:4]=[CH:2][C@H:7]([C:8]([CH2:3][CH2:5][C:10](=[O:16])[OH:17])=[O:15])[C@@H:11]([C:14](=[O:21])[OH:22])[C@@H:12]1[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58818
chebi:58818
XYCATPIYKOARSZ-OAIFWDMCSA-K 		5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate
(1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate
(1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate

CHEBI:50271
chebi:50271
XYCATPIYKOARSZ-OAIFWDMCSA-N 		(1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid
(1R,2S,5S,6S)-5-[(1-carboxyethenyl)oxy]-2-(3-carboxypropanoyl)-6-hydroxycyclohex-3-ene-1-carboxylic acid
2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic acid
5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate
SEPHCHC

metacyc.compound:CPD-9924
metacycM:CPD-9924
XYCATPIYKOARSZ-OAIFWDMCSA-K 		(1R,2S,5S,6S)-2-succinyl-5-enolpyruvyl-6-hydroxycyclohex-3-ene-1-carboxylate
(1R,2S,5S,6S)-5-[(1-carboxyethenyl)oxy]-2-(3-carboxypropanoyl)-6-hydroxycyclohex-3-ene-1-carboxylic acid
2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate
2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic acid
5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate
5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylic acid
SEPHCHC

vmhM:2s5epchc
vmhmetabolite:2s5epchc
XYCATPIYKOARSZ-OAIFWDMCSA-K 		2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate

seed.compound:cpd16335
seedM:cpd16335
XYCATPIYKOARSZ-OAIFWDMCSA-K 		2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate
2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate
2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate
5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate
5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate
SEPHCHC

kegg.compound:C16519
keggC:C16519
XYCATPIYKOARSZ-OAIFWDMCSA-N 		2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate
5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate
SEPHCHC

bigg.metabolite:2sephchc
biggM:2sephchc 		2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate

sabiork.compound:27666
sabiorkM:27666
XYCATPIYKOARSZ-OAIFWDMCSA-N 		5-Enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate

biggM:M_2sephchc
keggC:M_C16519
seedM:M_cpd16335
vmhM:M_2s5epchc 		secondary/obsolete/fantasy identifier