CHEBI:91316 - (S)-methylsuccinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-methylsuccinic acid
ChEBI ID CHEBI:91316
ChEBI ASCII Name (S)-methylsuccinic acid
Definition A 2-methylbutanedioic acid in which the methyl group at position 2 has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5H8O4
Net Charge 0
Average Mass 132.115
Monoisotopic Mass 132.04226
InChI InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey WXUAQHNMJWJLTG-VKHMYHEASA-N
SMILES OC(=O)[C@H](CC(O)=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-methylsuccinic acid (CHEBI:91316) is a 2-methylbutanedioic acid (CHEBI:91315)
(S)-methylsuccinic acid (CHEBI:91316) is conjugate acid of (2S)-methylsuccinate(2−) (CHEBI:191220)
(S)-methylsuccinic acid (CHEBI:91316) is enantiomer of (R)-methylsuccinic acid (CHEBI:91317)
Incoming methylsuccinic acid (CHEBI:89843) has part (S)-methylsuccinic acid (CHEBI:91316)
(2S)-methylsuccinate(2−) (CHEBI:191220) is conjugate base of (S)-methylsuccinic acid (CHEBI:91316)
(R)-methylsuccinic acid (CHEBI:91317) is enantiomer of (S)-methylsuccinic acid (CHEBI:91316)
IUPAC Name
(2S)-2-methylbutanedioic acid
Synonym Source
(S)-2-methylbutanedioic acid ChEBI
Registry Number Type Source
1722948 Reaxys Registry Number Reaxys
Last Modified
24 February 2016