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(2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylate

PropertiesImage
MNX_IDMNXM1522 Image of MNXM1522
referencechebi:142706
formulaC7H5O8
global charge-3
mol weight217.109
InChIKeyRQMCNDRMPZBEOD-ZETCQYMHSA-K
InChIInChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)/p-3/t7-/m0/s1
SMILESO=C([O-])C[C@@](O)(CC(=O)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1 Image of MNXM1522
SMILES (mnx)[CH2:1]([C:3]([C:5]([OH:11])=[O:12])=[O:8])[C@:7]([CH2:2][C:4](=[O:9])[OH:10])([C:6](=[O:13])[OH:14])[OH:15]
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
IdentifierDescription

CHEBI:142706
chebi:142706
RQMCNDRMPZBEOD-ZETCQYMHSA-K 		(2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylate

CHEBI:142757
chebi:142757
RQMCNDRMPZBEOD-ZETCQYMHSA-N 		(2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
(4S)-4-carboxy-4-hydroxy-2-oxoadipic acid
(4S)-4-hydroxy-4-carboxymethyl-2-oxoglutaric acid

vmhM:2hobtc
vmhmetabolite:2hobtc
RQMCNDRMPZBEOD-UHFFFAOYSA-N 		2-Hydroxy-4-oxobutane-1,2,4-tricarboxylate

CHEBI:58075
chebi:58075
RQMCNDRMPZBEOD-UHFFFAOYSA-K 		2-hydroxy-4-oxobutane-1,2,4-tricarboxylate

metacyc.compound:4-OH-4-ACETYL-2-OXOGLUTARATE
metacycM:4-OH-4-ACETYL-2-OXOGLUTARATE
RQMCNDRMPZBEOD-UHFFFAOYSA-K 		2-hydroxy-4-oxobutane-1,2,4-tricarboxylate
4-carboxy-4-hydroxy-2-ketoadipate
4-carboxy-4-hydroxy-2-oxoadipate
4-hydroxy-4-carboxymethyl-2-oxoglutarate
4-oxalocitramalate
gamma-oxalocitramalate

lipidmaps:LMFA01050481
lipidmapsM:LMFA01050481
RQMCNDRMPZBEOD-UHFFFAOYSA-N 		2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
FA 7:3
O6

CHEBI:17250
chebi:17250
RQMCNDRMPZBEOD-UHFFFAOYSA-N 		2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
4-carboxy-4-hydroxy-2-oxoadipic acid
4-hydroxy-4-carboxymethyl-2-oxoglutaric acid

kegg.compound:C04115
keggC:C04115
RQMCNDRMPZBEOD-UHFFFAOYSA-N 		4-Carboxy-4-hydroxy-2-oxoadipate
2-Hydroxy-4-oxobutane-1,2,4-tricarboxylate
2-Hydroxy-4-oxobutane-1,2,4-tricarboxylic acid
4-Carboxy-4-hydroxy-2-oxoadipic acid
4-Hydroxy-4-carboxymethyl-2-oxoglutarate

seed.compound:cpd02544
seedM:cpd02544
RQMCNDRMPZBEOD-UHFFFAOYSA-K 		4-Carboxy-4-hydroxy-2-oxoadipate
2-Hydroxy-4-oxobutane-1,2,4-tricarboxylate
2-hydroxy-4-oxobutane-1,2,4-tricarboxylate
4-Hydroxy-4-carboxymethyl-2-oxoglutarate
4-carboxy-4-hydroxy-2-ketoadipate
4-carboxy-4-hydroxy-2-oxoadipate
4-hydroxy-4-carboxymethyl-2-oxoglutarate
4-oxalocitramalate
gamma-oxalocitramalate

sabiork.compound:7090
sabiorkM:7090
RQMCNDRMPZBEOD-UHFFFAOYSA-N 		4-Carboxy-4-hydroxy-2-oxoadipate
2-Hydroxy-4-oxobutane-1,2,4-tricarboxylate
4-Hydroxy-4-carboxymethyl-2-oxoglutarate

chebi:1128
chebi:11585
chebi:1797
chebi:19611
chebi:20327
chebi:28186
keggC:M_C04115
seedM:M_cpd02544
vmhM:M_2hobtc 		secondary/obsolete/fantasy identifier