CHEBI:28456 - L-threo-3-methylmalic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-threo-3-methylmalic acid
ChEBI ID CHEBI:28456
ChEBI ASCII Name L-threo-3-methylmalic acid
Definition A threo-3-methylmalic acid that has (2S,3S)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6335, CHEBI:21400
Supplier Information
Download Molfile XML SDF
Formula C5H8O5
Net Charge 0
Average Mass 148.11402
Monoisotopic Mass 148.03717
InChI InChI=1S/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
InChIKey NPYQJIHHTGFBLN-HRFVKAFMSA-N
SMILES C[C@@H]([C@H](O)C(O)=O)C(O)=O
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): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 3-methylmalic acid )
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ChEBI Ontology
Outgoing L-threo-3-methylmalic acid (CHEBI:28456) is a threo-3-methylmalic acid (CHEBI:26982)
L-threo-3-methylmalic acid (CHEBI:28456) is enantiomer of D-threo-3-methylmalic acid (CHEBI:27736)
Incoming D-threo-3-methylmalic acid (CHEBI:27736) is enantiomer of L-threo-3-methylmalic acid (CHEBI:28456)
IUPAC Name
(2S,3S)-2-hydroxy-3-methylbutanedioic acid
Synonym Source
L-threo-3-Methylmalate KEGG COMPOUND
Manual Xref Database
C06029 KEGG COMPOUND
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Registry Numbers Types Sources
2413501 Beilstein Registry Number Beilstein
2413501 Reaxys Registry Number Reaxys
Last Modified
08 December 2011