EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160959 - Asp-Trp-Glu

ChEBI IDCHEBI:160959
ChEBI NameAsp-Trp-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N4O8
Net Charge0
Average Mass448.432
Monoisotopic Mass448.15941
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C20H24N4O8/c21-12(8-17(27)28)18(29)24-15(7-10-9-22-13-4-2-1-3-11(10)13)19(30)23-14(20(31)32)5-6-16(25)26/h1-4,9,12,14-15,22H,5-8,21H2,(H,23,30)(H,24,29)(H,25,26)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1
InChIKeyMRYDJCIIVRXVGG-QEJZJMRPSA-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-Trp-Glu (CHEBI:160959) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanedioic acid