CHEBI:35128 - (2S)-2-isopropylmalic acid

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ChEBI Name (2S)-2-isopropylmalic acid
ChEBI ID CHEBI:35128
ChEBI ASCII Name (2S)-2-isopropylmalic acid
Definition An optically active form of 2-isopropylmalic acid having S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H12O5
Net Charge 0
Average Mass 176.167
Monoisotopic Mass 176.068
InChI InChI=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)/t7-/m0/s1
InChIKey BITYXLXUCSKTJS-ZETCQYMHSA-N
SMILES C(C(=O)O)[C@](C(=O)O)(O)C(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via 2-isopropylmalic acid )
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ChEBI Ontology
Outgoing (2S)-2-isopropylmalic acid (CHEBI:35128) is a 2-isopropylmalic acid (CHEBI:28635)
(2S)-2-isopropylmalic acid (CHEBI:35128) is conjugate acid of (2S)-2-isopropylmalate(2−) (CHEBI:1178)
Incoming (2S)-2-isopropylmalate(2−) (CHEBI:1178) is conjugate base of (2S)-2-isopropylmalic acid (CHEBI:35128)
IUPAC Name
(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid
Synonyms Sources
(2S)-2-Hydroxy-2-isopropylsuccinic acid KEGG COMPOUND
(2S)-2-hydroxy-2-isopropylsuccinic acid ChEBI
(2S)-2-Isopropylmalate KEGG COMPOUND
(3S)-3-carboxy-3-hydroxy-4-methylpentanoic acid ChEBI
(3S)-3-carboxy-3-hydroxyisocaproic acid ChEBI
(S)-2-Hydroxy-2-(isopropyl)succinic acid ChemIDplus
2-Isopropylmalic acid KEGG COMPOUND
3-Carboxy-3-hydroxy-4-methylpentanoate KEGG COMPOUND
3-Carboxy-3-hydroxyisocaproate KEGG COMPOUND
Database Links Databases
C00019690 KNApSAcK
C02504 KEGG COMPOUND
HMDB00402 HMDB
LMFA01170083 LIPID MAPS
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Registry Numbers Types Sources
2085861 Reaxys Registry Number Reaxys
49601-06-1 CAS Registry Number ChemIDplus
Last Modified
03 August 2016