Malabetaezialactic acid (CHEBI:209171)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Malabetaezialactic acid

ChEBI ID	CHEBI:209171

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H18N2O3

Net Charge

Average Mass

334.375

Monoisotopic Mass

334.13174

InChI

InChI=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

InChIKey

RDMJEPLAAAUXIZ-LJQANCHMSA-N

SMILES

O=C(O)[C@H](O)CC=1C2=C(C=CC=C2)NC1CC=3C4=C(C=CC=C4)NC3

Metabolite of Species	Details
Malassezia furfur (NCBI:txid55194)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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