EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164695 - Trp-His-Asn

ChEBI IDCHEBI:164695
ChEBI NameTrp-His-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N7O5
Net Charge0
Average Mass455.475
Monoisotopic Mass455.19172
SMILESNC(=O)C[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H25N7O5/c22-14(5-11-8-25-15-4-2-1-3-13(11)15)19(30)27-16(6-12-9-24-10-26-12)20(31)28-17(21(32)33)7-18(23)29/h1-4,8-10,14,16-17,25H,5-7,22H2,(H2,23,29)(H,24,26)(H,27,30)(H,28,31)(H,32,33)/t14-,16-,17-/m0/s1
InChIKeyAWEGFIJXYWGBCA-XIRDDKMYSA-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)
Trp-His-Asn (CHEBI:164695) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid