EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160902 - Asp-Ser-Trp

ChEBI IDCHEBI:160902
ChEBI NameAsp-Ser-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N4O7
Net Charge0
Average Mass406.395
Monoisotopic Mass406.14885
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C18H22N4O7/c19-11(6-15(24)25)16(26)22-14(8-23)17(27)21-13(18(28)29)5-9-7-20-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,20,23H,5-6,8,19H2,(H,21,27)(H,22,26)(H,24,25)(H,28,29)/t11-,13-,14-/m0/s1
InChIKeyOZBXOELNJBSJOA-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)
Asp-Ser-Trp (CHEBI:160902) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid