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CHEBI:49076 - (S)-2-hydroxymethylglutaric acid

ChEBI IDCHEBI:49076
ChEBI Name(S)-2-hydroxymethylglutaric acid
Stars
ASCII Name(S)-2-hydroxymethylglutaric acid
Last Modified25 April 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H10O5
Net Charge0
Average Mass162.141
Monoisotopic Mass162.05282
SMILESO=C(O)CC[C@@H](CO)C(=O)O
InChIInChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyXPQIPNORJZZYPV-BYPYZUCNSA-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)-2-hydroxymethylglutaric acid (CHEBI:49076) is a 2-hydroxymethylglutaric acid (CHEBI:49077)
(S)-2-hydroxymethylglutaric acid (CHEBI:49076) is enantiomer of (R)-2-hydroxymethylglutaric acid (CHEBI:49078)
Incoming Relation(s)
(R)-2-hydroxymethylglutaric acid (CHEBI:49078) is enantiomer of (S)-2-hydroxymethylglutaric acid (CHEBI:49076)
IUPAC Name 
(2S)-2-(hydroxymethyl)pentanedioic acid
Synonym  Source
(S)-2-(Hydroxymethyl)glutarateKEGG COMPOUND
Manual XrefsDatabases
C16390KEGG COMPOUND