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CHEBI:169349 - 3-Hydroxy-2-methylglutarate

Default Structure
ChEBI IDCHEBI:169349
ChEBI Name3-Hydroxy-2-methylglutarate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O5
Net Charge0
Average Mass176.168
Monoisotopic Mass176.06847
SMILESCCC(C(=O)O)C(O)CC(=O)O
InChIInChI=1S/C7H12O5/c1-2-4(7(11)12)5(8)3-6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyWOBKEWPFNDXDDF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-2-methylglutarate (CHEBI:169349) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-ethyl-3-hydroxypentanedioic acid
Manual XrefsDatabases
14567499ChemSpider
HMDB0029169HMDB