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CHEBI:177774 - (Z)-4-Chloro-N-(3-ethoxy-1-hydroxy-3-oxopropylidene)tryptophan

ChEBI IDCHEBI:177774
ChEBI Name(Z)-4-Chloro-N-(3-ethoxy-1-hydroxy-3-oxopropylidene)tryptophan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17ClN2O5
Net Charge0
Average Mass352.774
Monoisotopic Mass352.08260
SMILESCCOC(=O)CC(=O)NC(Cc1cnc2cccc(Cl)c12)C(=O)O
InChIInChI=1S/C16H17ClN2O5/c1-2-24-14(21)7-13(20)19-12(16(22)23)6-9-8-18-11-5-3-4-10(17)15(9)11/h3-5,8,12,18H,2,6-7H2,1H3,(H,19,20)(H,22,23)
InChIKeyDWVLUSJVGYOTDB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(Z)-4-Chloro-N-(3-ethoxy-1-hydroxy-3-oxopropylidene)tryptophan (CHEBI:177774) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
3-(4-chloro-1H-indol-3-yl)-2-[(3-ethoxy-3-oxopropanoyl)amino]propanoic acid
Manual XrefsDatabases
35013189ChemSpider
HMDB0030399HMDB