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CHEBI:162015 - Gln-Asp-Trp

ChEBI IDCHEBI:162015
ChEBI NameGln-Asp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25N5O7
Net Charge0
Average Mass447.448
Monoisotopic Mass447.17540
SMILESNC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H25N5O7/c21-12(5-6-16(22)26)18(29)24-14(8-17(27)28)19(30)25-15(20(31)32)7-10-9-23-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,29)(H,25,30)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1
InChIKeyDHNWZLGBTPUTQQ-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)
Gln-Asp-Trp (CHEBI:162015) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid