EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159628 - Asn-Asp-Trp

ChEBI IDCHEBI:159628
ChEBI NameAsn-Asp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N5O7
Net Charge0
Average Mass433.421
Monoisotopic Mass433.15975
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H23N5O7/c20-11(6-15(21)25)17(28)23-13(7-16(26)27)18(29)24-14(19(30)31)5-9-8-22-12-4-2-1-3-10(9)12/h1-4,8,11,13-14,22H,5-7,20H2,(H2,21,25)(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t11-,13-,14-/m0/s1
InChIKeyFANGHKQYFPYDNB-UBHSHLNASA-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)
Asn-Asp-Trp (CHEBI:159628) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoic acid