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CHEBI:209171 - Malabetaezialactic acid

ChEBI IDCHEBI:209171
ChEBI NameMalabetaezialactic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18N2O3
Net Charge0
Average Mass334.375
Monoisotopic Mass334.13174
SMILESO=C(O)[C@H](O)Cc1c(Cc2cnc3ccccc23)nc2ccccc12
InChIInChI=1S/C20H18N2O3/c23-19(20(24)25)10-15-14-6-2-4-8-17(14)22-18(15)9-12-11-21-16-7-3-1-5-13(12)16/h1-8,11,19,21-23H,9-10H2,(H,24,25)/t19-/m1/s1
InChIKeyRDMJEPLAAAUXIZ-LJQANCHMSA-N
Species of MetaboliteComponentSourceComments
Malassezia furfur (ncbitaxon:55194) - DOI (10.1002/hlca.200590118)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Malabetaezialactic acid (CHEBI:209171) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2R)-2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid
Manual XrefsDatabases
78437385ChemSpider