EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:747489 - N-[(3S)-3-hydroxy-3-methylglutaryl]glycinate

Default Structure
ChEBI IDCHEBI:747489
ChEBI NameN-[(3S)-3-hydroxy-3-methylglutaryl]glycinate
Stars
DefinitionAn N-acylglycinate that is the conjugate base of N-[(3S)-3-hydroxy-3-methylglutaryl]glycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 April 2026
Submitternhn
DownloadsMolfile
FormulaC8H11NO6
Net Charge-2
Average Mass217.177
Monoisotopic Mass217.05973
SMILESC[C@@](O)(CC(=O)[O-])CC(=O)NCC(=O)[O-]
InChIInChI=1S/C8H13NO6/c1-8(15,3-6(11)12)2-5(10)9-4-7(13)14/h15H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/p-2/t8-/m0/s1
InChIKeyYEGIDODVHCMFFJ-QMMMGPOBSA-L
ChEBI Ontology
Outgoing Relation(s)
N-[(3S)-3-hydroxy-3-methylglutaryl]glycinate (CHEBI:747489) is a N-acylglycinate (CHEBI:57670)
N-[(3S)-3-hydroxy-3-methylglutaryl]glycinate (CHEBI:747489) is a 3-hydroxy fatty acid anion (CHEBI:84196)
N-[(3S)-3-hydroxy-3-methylglutaryl]glycinate (CHEBI:747489) is a dicarboxylic acid anion (CHEBI:35693)
UniProt Name  Source
N-[(3S)-3-hydroxy-3-methylglutaryl]-glycineUniProt
Citations