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(2S)-2-isopropyl-3-oxosuccinate

PropertiesImage
MNX_IDMNXM1602 Image of MNXM1602
referencechebi:17214
formulaC7H8O5
global charge-2
mol weight172.136
InChIKeyHIIZAGQWABAMRR-BYPYZUCNSA-L
InChIInChI=1S/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/p-2/t4-/m0/s1
SMILESCC(C)[C@H](C(=O)[O-])C(=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/t4-/m0/s1 Image of MNXM1602
SMILES (mnx)[CH3:1][CH:3]([CH3:2])[C@@H:4]([C:5]([C:7]([OH:11])=[O:12])=[O:8])[C:6](=[O:9])[OH:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17214
chebi:17214
HIIZAGQWABAMRR-BYPYZUCNSA-L 		(2S)-2-isopropyl-3-oxosuccinate
(2S)-2-isopropyl-3-oxosuccinate(2-)
(2S)-3-oxo-2-(propan-2-yl)butanedioate

kegg.compound:C04236
keggC:C04236
HIIZAGQWABAMRR-BYPYZUCNSA-N 		(2S)-2-Isopropyl-3-oxosuccinate
2-Oxo-4-methyl-3-carboxypentanoate
3-Carboxy-4-methyl-2-oxopentanoate

metacyc.compound:CPD-7100
metacycM:CPD-7100
HIIZAGQWABAMRR-BYPYZUCNSA-L 		(2S)-2-isopropyl-3-oxosuccinate
2-isopropyl-3-oxosuccinate

CHEBI:1467
chebi:1467
HIIZAGQWABAMRR-BYPYZUCNSA-N 		(2S)-2-isopropyl-3-oxosuccinic acid
(2S)-2-(1-methylethyl)-3-oxobutanedioic acid
(2S)-2-Isopropyl-3-oxosuccinate
(2S)-3-oxo-2-(propan-2-yl)butanedioic acid
3-Carboxy-4-methyl-2-oxopentanoate
hmdb:HMDB0012149
HIIZAGQWABAMRR-BYPYZUCNSA-N 		2-Isopropyl-3-oxosuccinate
(2S)-2-(1-Methylethyl)-3-oxobutanedioate
(2S)-2-(1-Methylethyl)-3-oxobutanedioic acid
(2S)-2-Isopropyl-3-oxosuccinate
(2S)-2-Isopropyl-3-oxosuccinic acid
(2S)-2-isopropyl-3-oxobutanedioic acid
(2S)-3-oxo-2-(Propan-2-yl)butanedioate
(2S)-3-oxo-2-(Propan-2-yl)butanedioic acid
(3S)-2-oxo-3-(propan-2-yl)butanedioic acid
2-(1-Methylethyl)-3-oxobutanedioic acid
2-Isopropyl-3-oxosuccinic acid
2-Oxo-3-isopropylsuccinic acid
2-oxo-4-Methyl-3-carboxypentanoate
2-oxo-4-Methyl-3-carboxypentanoic acid
3-Carboxy-4-methyl-2-oxopentanoate
3-Carboxy-4-methyl-2-oxopentanoic acid

seed.compound:cpd02605
seedM:cpd02605
HIIZAGQWABAMRR-BYPYZUCNSA-L 		2-isopropyl-3-oxosuccinate
(2S)-2-Isopropyl-3-oxosuccinate
(2S)-2-isopropyl-3-oxosuccinate
2-Oxo-4-methyl-3-carboxypentanoate
3-Carboxy-4-methyl-2-oxopentanoate
3c4mop

bigg.metabolite:3c4mop
biggM:3c4mop
HIIZAGQWABAMRR-UHFFFAOYSA-L 		3-Carboxy-4-methyl-2-oxopentanoate

vmhM:3c4mop
vmhmetabolite:3c4mop
HIIZAGQWABAMRR-BYPYZUCNSA-L 		3-Carboxy-4-methyl-2-oxopentanoate
(3S)-2-oxo-3-(propan-2-yl)butanedioic acid

vmhM:3dhchol
vmhmetabolite:3dhchol
HIIZAGQWABAMRR-BYPYZUCNSA-N 		3-Dehydrocholate
(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-9,16-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid

hmdb:HMDB12149
chebi:11765
chebi:19975
biggM:M_3c4mop
keggC:M_C04236
seedM:M_cpd02605
vmhM:M_3c4mop
vmhM:M_3dhchol 		secondary/obsolete/fantasy identifier