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CHEBI:174197 - 2-Isopropyl citrate

Default Structure
ChEBI IDCHEBI:174197
ChEBI Name2-Isopropyl citrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O7
Net Charge0
Average Mass234.204
Monoisotopic Mass234.07395
SMILESCC(C)OC(=O)C(O)(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H14O7/c1-5(2)16-8(14)9(15,3-6(10)11)4-7(12)13/h5,15H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyVRBUFFFVTDWWMY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-Isopropyl citrate (CHEBI:174197) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-hydroxy-3-propan-2-yloxycarbonylpentanedioic acid
Manual XrefsDatabases
21163824ChemSpider
HMDB0038083HMDB
Registry NumbersSources
CAS:83966-24-9ChemIDplus