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CHEBI:162796 - Glu-Asp-Trp

ChEBI IDCHEBI:162796
ChEBI NameGlu-Asp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N4O8
Net Charge0
Average Mass448.432
Monoisotopic Mass448.15941
SMILESN[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H24N4O8/c21-12(5-6-16(25)26)18(29)23-14(8-17(27)28)19(30)24-15(20(31)32)7-10-9-22-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,22H,5-8,21H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1
InChIKeyPBFGQTGPSKWHJA-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)
Glu-Asp-Trp (CHEBI:162796) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid