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(2S)-2-isopropylmalate(2-)

PropertiesImage
MNX_IDMNXM730929 Image of MNXM730929
referencechebi:1178
formulaC7H10O5
global charge-2
mol weight174.152
InChIKeyBITYXLXUCSKTJS-ZETCQYMHSA-L
InChIInChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/p-2/t7-/m0/s1
SMILESCC(C)[C@@](O)(CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1 Image of MNXM730929
SMILES (mnx)[CH3:1][CH:4]([CH3:2])[C@@:7]([CH2:3][C:5](=[O:8])[OH:9])([C:6](=[O:10])[OH:11])[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:1178
chebi:1178
BITYXLXUCSKTJS-ZETCQYMHSA-L 		(2S)-2-isopropylmalate(2-)
(2S)-2-Isopropylmalate
(2S)-2-hydroxy-2-(propan-2-yl)butanedioate
(2S)-2-isopropylmalate

SLM:000489965
slm:000489965
BITYXLXUCSKTJS-ZETCQYMHSA-L 		(2S)-2-isopropylmalate

metacyc.compound:3-CARBOXY-3-HYDROXY-ISOCAPROATE
metacycM:3-CARBOXY-3-HYDROXY-ISOCAPROATE
BITYXLXUCSKTJS-ZETCQYMHSA-L 		(2S)-2-isopropylmalate
2-isopropylmalic acid
3-carboxy-3-hydroxy-4-methylpentanoate
3-carboxy-3-hydroxy-isocaproate
3-hydroxy-4-methyl-3-carboxypentanoate
alpha-isopropylmalate

CHEBI:35128
chebi:35128
BITYXLXUCSKTJS-ZETCQYMHSA-N 		(2S)-2-isopropylmalic acid
(2S)-2-Hydroxy-2-isopropylsuccinic acid
(2S)-2-Isopropylmalate
(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
(2S)-2-hydroxy-2-isopropylsuccinic acid
(3S)-3-carboxy-3-hydroxy-4-methylpentanoic acid
(3S)-3-carboxy-3-hydroxyisocaproic acid
(S)-2-Hydroxy-2-(isopropyl)succinic acid
2-Isopropylmalic acid
3-Carboxy-3-hydroxy-4-methylpentanoate
3-Carboxy-3-hydroxyisocaproate

seed.compound:cpd01646
seedM:cpd01646
BITYXLXUCSKTJS-ZETCQYMHSA-L 		2-Isopropylmalate
(2S)-2-Hydroxy-2-isopropylsuccinic acid
(2S)-2-Isopropylmalate
(2S)-2-isopropylmalate
2-Hydroxy-2-isopropylbutanedioate
2-Isopropylmalic acid
3-Carboxy-3-hydroxy-4-methylpentanoate
3-Carboxy-3-hydroxy-isocaproate
3-Carboxy-3-hydroxyisocaproate
3-Hydroxy-4-methyl-3-carboxypentanoate
3-carboxy-3-hydroxy-4-methylpentanoate
3-carboxy-3-hydroxy-isocaproate
3-hydroxy-4-methyl-3-carboxypentanoate
3c3hmp
alpha-Isopropylmalate
alpha-isopropylmalate

sabiork.compound:2427
sabiorkM:2427
BITYXLXUCSKTJS-UHFFFAOYSA-N 		2-Isopropylmalate
2-Isopropylmalic acid
3-Carboxy-3-hydroxy-4-methylpentanoate
3-Carboxy-3-hydroxy-isocaproate
3-Carboxy-3-hydroxyisocaproate
3-Hydroxy-4-methyl-3-carboxypentanoate
hmdb:HMDB0000402
BITYXLXUCSKTJS-ZETCQYMHSA-N 		2-Isopropylmalic acid
(2S)-2-Hydroxy-2-(1-methylethyl)butanedioic acid
(2S)-2-Hydroxy-2-(propan-2-yl)butanedioic acid
(2S)-2-Hydroxy-2-isopropylsuccinate
(2S)-2-Hydroxy-2-isopropylsuccinic acid
(2S)-2-Isopropylmalate
(2S)-2-Isopropylmalic acid
(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
(3S)-3-Carboxy-3-hydroxy-4-methylpentanoate
(3S)-3-Carboxy-3-hydroxy-4-methylpentanoic acid
(3S)-3-Carboxy-3-hydroxyisocaproate
(3S)-3-Carboxy-3-hydroxyisocaproic acid
(S)-(+)-2-Isopropylmalic acid
(S)-2-Hydroxy-2-(isopropyl)succinate
(S)-2-Hydroxy-2-(isopropyl)succinic acid
2-Hydroxy-2-(1-methylethyl)butanedioic acid
2-Hydroxy-2-isopropylsuccinate
2-Hydroxy-2-isopropylsuccinic acid
2-Isopropyl-2-hydroxybutanedioate
2-Isopropyl-2-hydroxybutanedioic acid
2-Isopropyl-malic acid
2-Isopropylmalate
2-isopropyl-malic acid
3-Carboxy-3-hydroxy-4-methylpentanoate
3-Carboxy-3-hydroxy-4-methylpentanoic acid
3-Carboxy-3-hydroxyisocaproate
3-Carboxy-3-hydroxyisocaproic acid
a-Isopropylmalate
a-Isopropylmalic acid
alpha-Isopropylmalate
alpha-Isopropylmalic acid
alpha-isopropylmalate
alpha-isopropylmalic acid

lipidmaps:LMFA01170083
lipidmapsM:LMFA01170083
BITYXLXUCSKTJS-ZETCQYMHSA-N 		2-isopropyl-malic acid
(2S)-2-isopropyl-2-hydroxy-butanedioic acid
FA 7:1
O3

CHEBI:28107
chebi:28107
BITYXLXUCSKTJS-UHFFFAOYSA-L 		2-isopropylmalate(2-)
2-hydroxy-2-(propan-2-yl)butanedioate
2-hydroxy-2-isopropylsuccinate
3-carboxy-3-hydroxy-4-methylpentanoate
3-carboxy-3-hydroxyisocaproate
3-hydroxy-4-methyl-3-carboxypentanoate
alpha-isopropylmalate

CHEBI:28635
chebi:28635
BITYXLXUCSKTJS-UHFFFAOYSA-N 		2-isopropylmalic acid
2-hydroxy-2-(1-methylethyl)butanedioic acid
2-hydroxy-2-(propan-2-yl)butanedioic acid
2-hydroxy-2-isopropylsuccinic acid
3-carboxy-3-hydroxy-4-methylpentanoic acid
3-carboxy-3-hydroxyisocaproic acid
alpha-isopropylmalate
alpha-isopropylmalic acid

bigg.metabolite:3c3hmp
biggM:3c3hmp
BITYXLXUCSKTJS-ZETCQYMHSA-N 		3-Carboxy-3-hydroxy-4-methylpentanoate

vmhM:3c3hmp
vmhM:3c3hmp
vmhmetabolite:3c3hmp
vmhmetabolite:3c3hmp
BITYXLXUCSKTJS-ZETCQYMHSA-L 		3-Carboxy-3-hydroxy-4-methylpentanoate
(2S)-2-Hydroxy-2-(1-methylethyl)butanedioic acid
(2S)-2-Hydroxy-2-(propan-2-yl)butanedioic acid
(2S)-2-Hydroxy-2-isopropylsuccinate
(2S)-2-Hydroxy-2-isopropylsuccinic acid
(2S)-2-Isopropylmalate
(2S)-2-Isopropylmalic acid
(3S)-3-Carboxy-3-hydroxy-4-methylpentanoate
(3S)-3-Carboxy-3-hydroxy-4-methylpentanoic acid
(3S)-3-Carboxy-3-hydroxyisocaproate
(3S)-3-Carboxy-3-hydroxyisocaproic acid
(S)-(+)-2-Isopropylmalic acid
(S)-2-Hydroxy-2-(isopropyl)succinate
(S)-2-Hydroxy-2-(isopropyl)succinic acid
2-Hydroxy-2-(1-methylethyl)butanedioic acid
2-Hydroxy-2-isopropylsuccinate
2-Hydroxy-2-isopropylsuccinic acid
2-Isopropyl-2-hydroxybutanedioate
2-Isopropyl-2-hydroxybutanedioic acid
2-Isopropyl-malic acid
2-Isopropylmalate
2-Isopropylmalic acid
3-Carboxy-3-hydroxy-4-methylpentanoate
3-Carboxy-3-hydroxy-4-methylpentanoic acid
3-Carboxy-3-hydroxyisocaproate
3-Carboxy-3-hydroxyisocaproic acid
Cellular membrane
Cucurbits
Cytoplasma
Digestion
Faecal
Faeces
Fauna
Fecal
Flora
Gourds
Gramineae
Legume
Lipid body
Lipid droplet
Lipid metabolic process
Lipid particle
Membrane integrity agent
Membrane stability agent
Papilionoideae
Soy
Soya
Soya bean
Soybean
Stool
a-Isopropylmalate
a-Isopropylmalic acid
alpha-Isopropylmalate
alpha-Isopropylmalic acid
alpha-isopropylmalate
alpha-isopropylmalic acid

kegg.compound:C02504
keggC:C02504
BITYXLXUCSKTJS-ZETCQYMHSA-N 		alpha-Isopropylmalate
(2S)-2-Hydroxy-2-isopropylsuccinic acid
(2S)-2-Isopropylmalate
(2S)-2-Isopropylmalic acid
2-Isopropylmalic acid
3-Carboxy-3-hydroxy-4-methylpentanoate
3-Carboxy-3-hydroxyisocaproate

hmdb:HMDB00402
chebi:1115
chebi:11580
chebi:11763
chebi:19595
chebi:19667
chebi:35129
biggM:M_3c3hmp
keggC:M_C02504
seedM:M_cpd01646
vmhM:M_3c3hmp 		secondary/obsolete/fantasy identifier