EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163722 - Thr-Asn-Trp

ChEBI IDCHEBI:163722
ChEBI NameThr-Asn-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25N5O6
Net Charge0
Average Mass419.438
Monoisotopic Mass419.18048
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H25N5O6/c1-9(25)16(21)18(28)23-13(7-15(20)26)17(27)24-14(19(29)30)6-10-8-22-12-5-3-2-4-11(10)12/h2-5,8-9,13-14,16,22,25H,6-7,21H2,1H3,(H2,20,26)(H,23,28)(H,24,27)(H,29,30)/t9-,13+,14+,16+/m1/s1
InChIKeyVBPDMBAFBRDZSK-HOUAVDHOSA-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)
Thr-Asn-Trp (CHEBI:163722) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid