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Universal:3c3hmp

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

Default Component
3c3hmp:-2
  • (2S)-2-isopropylmalate(2-)
  • Charge: -2
  • Formula: C7H10O5
CHEBI:1178
  • (2S)-2-isopropylmalate(2-)
  • Type: Small Molecule
  • InChiKey: BITYXLXUCSKTJS-ZETCQYMHSA-L
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 174.152[0], 174.0[1]
  • SMILES: CC(C)[C@@](O)(CC(=O)[O-])C(=O)[O-][0,1]
  • Names: (2S)-2-Isopropylmalate[0,1], (2S)-2-hydroxy-2-(propan-2-yl)butanedioate[0], (2S)-2-isopropylmalate[0,1], 2-Isopropylmalate[1], (2S)-2-Hydroxy-2-isopropylsuccinic acid[1], 2-Hydroxy-2-isopropylbutanedioate[1], 2-Isopropylmalic acid[1], 3-Carboxy-3-hydroxy-4-methylpentanoate[1], 3-Carboxy-3-hydroxy-isocaproate[1], 3-Carboxy-3-hydroxyisocaproate[1], 3-Hydroxy-4-methyl-3-carboxypentanoate[1], 3-carboxy-3-hydroxy-4-methylpentanoate[1], 3-carboxy-3-hydroxy-isocaproate[1], 3-hydroxy-4-methyl-3-carboxypentanoate[1], alpha-Isopropylmalate[1], alpha-isopropylmalate[1]
Data Sources: [0] CHEBI:1178 via ChEBI, [1] cpd01646 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:1178 via ChEBI, [1] cpd01646 via ModelSEED
Alternative Component
3c3hmp:0
  • (2S)-2-isopropylmalic acid
  • Charge: 0
  • Formula: C7H12O5
CHEBI:35128
  • (2S)-2-isopropylmalic acid
  • Type: Small Molecule
  • InChiKey: BITYXLXUCSKTJS-ZETCQYMHSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 176.167[0]
  • SMILES: CC(C)[C@@](O)(CC(=O)O)C(=O)O[0]
  • Names: (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid[0], (2S)-2-hydroxy-2-isopropylsuccinic acid[0], (3S)-3-carboxy-3-hydroxy-4-methylpentanoic acid[0], (3S)-3-carboxy-3-hydroxyisocaproic acid[0], (S)-2-Hydroxy-2-(isopropyl)succinic acid[0], (2S)-2-Hydroxy-2-isopropylsuccinic acid[0], 3-Carboxy-3-hydroxy-4-methylpentanoate[0], (2S)-2-Isopropylmalate[0], 2-Isopropylmalic acid[0], 3-Carboxy-3-hydroxyisocaproate[0]
Data Sources: [0] CHEBI:35128 via ChEBI
Linkouts
Data Sources: [0] CHEBI:35128 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism