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CHEBI:175694 - N-Caffeoyltryptophan

Default Structure
ChEBI IDCHEBI:175694
ChEBI NameN-Caffeoyltryptophan
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18N2O5
Net Charge0
Average Mass366.373
Monoisotopic Mass366.12157
SMILESO=C(/C=C/c1ccc(O)c(O)c1)NC(Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+
InChIKeyXITPERBRJNUFSB-SOFGYWHQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-Caffeoyltryptophan (CHEBI:175694) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
8604387ChemSpider
HMDB0029830HMDB