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(2R,3S)-3-isopropylmalate

Properties

Image

Occurences in reactions

MNX_ID

MNXM741109

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	4

formula

C₇H₁₀O₅

charge

-2

mass

174.05392

reference

chebi:35121

InChIKey

RNQHMTFBUSSBJQ-CRCLSJGQSA-L

InChI

InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/p-2/t4-,5+/m0/s1

SMILES

CC(C)[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:35121 chebi:35121	(2R,3S)-3-isopropylmalate (2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioate (2R,3S)-2-hydroxy-3-isopropylsuccinate (2R,3S)-3-Isopropylmalate (2R,3S)-3-isopropylmalate(2-) 2-D-threo-Hydroxy-3-carboxy-isocaproate
sabiork.compound:31178 sabiorkM:31178	(2R,3S)-3-Isopropylmalate
kegg.compound:C04411 keggC:C04411	(2R,3S)-3-Isopropylmalate 2-D-threo-Hydroxy-3-carboxy-isocaproate 3-Carboxy-2-hydroxy-4-methylpentanoate 3-Isopropylmalate
metacyc.compound:2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE metacycM:2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE	(2R,3S)-3-isopropylmalate 2-D-threo-hydroxy-3-carboxy-isocaproate 3-carboxy-2-hydroxy-4-methylpentanoate 3-isopropylmalate beta-isopropylmalate
CHEBI:43468 chebi:43468	(2R,3S)-3-isopropylmalic acid (2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioic acid (2R,3S)-2-hydroxy-3-isopropylsuccinic acid (2R,3S)-3-carboxy-2-hydroxy-4-methylpentanoic acid 2-D-threo-Hydroxy-3-carboxy-isocaproate 2-D-threo-hydroxy-3-carboxyisocaproic acid 3-Carboxy-2-hydroxy-4-methylpentanoate 3-Isopropylmalate
bigg.metabolite:3c2hmp biggM:3c2hmp	3-Carboxy-2-hydroxy-4-methylpentanoate
seed.compound:cpd02693 seedM:cpd02693	3-Isopropylmalate (2R,3S)-3-Isopropylmalate (2R,3S)-3-isopropylmalate 2-D-threo-Hydroxy-3-carboxy-isocaproate 2-D-threo-hydroxy-3-carboxy-isocaproate 3-Carboxy-2-hydroxy-4-methylpentanoate 3-carboxy-2-hydroxy-4-methylpentanoate 3-isopropylmalate 3c2hmp beta-isopropylmalate
sabiork.compound:7292 sabiorkM:7292	3-Isopropylmalate 2-D-threo-Hydroxy-3-carboxy-isocaproate 3-Carboxy-2-hydroxy-4-methylpentanoate
hmdb:HMDB0012156	3-Isopropylmalic acid (2R,3S)-2-Hydroxy-3-(1-methylethyl)butanedioic acid (2R,3S)-2-Hydroxy-3-(propan-2-yl)butanedioate (2R,3S)-2-Hydroxy-3-(propan-2-yl)butanedioic acid (2R,3S)-2-Hydroxy-3-isopropylsuccinate (2R,3S)-2-Hydroxy-3-isopropylsuccinic acid (2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioic acid (2R,3S)-3-Carboxy-2-hydroxy-4-methylpentanoate (2R,3S)-3-Carboxy-2-hydroxy-4-methylpentanoic acid (2R,3S)-3-Isopropylmalate (2R,3S)-3-Isopropylmalic acid (2R,3S)-3-isopropylmalic acid 2-D-Threo-hydroxy-3-carboxy-isocaproate 2-D-Threo-hydroxy-3-carboxy-isocaproic acid 2-D-Threo-hydroxy-3-carboxyisocaproate 2-D-Threo-hydroxy-3-carboxyisocaproic acid 2-Hydroxy-3-(1-methylethyl)butanedioic acid 3-3-Isopropylmalic acid 3-Carboxy-2-hydroxy-4-methylpentanoate 3-Carboxy-2-hydroxy-4-methylpentanoic acid 3-Isopropylmalate IPM Isopropylmalate Isopropylmalic acid beta-Isopropylmalate beta-Isopropylmalate, erythro-(L)-isomer beta-Isopropylmalic acid
hmdb:HMDB12156 chebi:1565 chebi:35120 chebi:35122 chebi:43465 biggM:M_3c2hmp keggC:M_C04411 seedM:M_cpd02693	secondary/obsolete/fantasy identifier