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CHEBI:91316 - (S)-methylsuccinic acid

ChEBI IDCHEBI:91316
ChEBI Name(S)-methylsuccinic acid
Stars
ASCII Name(S)-methylsuccinic acid
DefinitionA 2-methylbutanedioic acid in which the methyl group at position 2 has S-configuration.
Last Modified24 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC5H8O4
Net Charge0
Average Mass132.115
Monoisotopic Mass132.04226
SMILESC[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyWXUAQHNMJWJLTG-VKHMYHEASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
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 acidChEBI
Registry NumbersSources
Reaxys:1722948Reaxys