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CHEBI:226677 - Isocitronensaeure

Default Structure
ChEBI IDCHEBI:226677
ChEBI NameIsocitronensaeure
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H8O7
Net Charge0
Average Mass192.123
Monoisotopic Mass192.02700
SMILESO=C(O)C[C@H](C(=O)O)C(O)C(=O)O
InChIInChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4?/m0/s1
InChIKeyODBLHEXUDAPZAU-PTLFGRINSA-N
ChEBI Ontology
Outgoing Relation(s)
Isocitronensaeure (CHEBI:226677) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
Manual XrefsDatabases
78442099ChemSpider