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CHEBI:160957 - Asp-Trp-Gln

Default Structure
ChEBI IDCHEBI:160957
ChEBI NameAsp-Trp-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25N5O7
Net Charge0
Average Mass447.448
Monoisotopic Mass447.17540
SMILESNC(=O)CC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C20H25N5O7/c21-12(8-17(27)28)18(29)25-15(7-10-9-23-13-4-2-1-3-11(10)13)19(30)24-14(20(31)32)5-6-16(22)26/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,30)(H,25,29)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1
InChIKeyLLRJPYJQNBMOOO-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-Gln (CHEBI:160957) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid