EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:161322 - Phe-Asn-Asp

ChEBI IDCHEBI:161322
ChEBI NamePhe-Asn-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N4O7
Net Charge0
Average Mass394.384
Monoisotopic Mass394.14885
SMILESNC(=O)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C17H22N4O7/c18-10(6-9-4-2-1-3-5-9)15(25)20-11(7-13(19)22)16(26)21-12(17(27)28)8-14(23)24/h1-5,10-12H,6-8,18H2,(H2,19,22)(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t10-,11-,12-/m0/s1
InChIKeyHCTXJGRYAACKOB-SRVKXCTJSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phe-Asn-Asp (CHEBI:161322) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid