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CHEBI:159708 - Asn-Gln-Trp

ChEBI IDCHEBI:159708
ChEBI NameAsn-Gln-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N6O6
Net Charge0
Average Mass446.464
Monoisotopic Mass446.19138
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H26N6O6/c21-12(8-17(23)28)18(29)25-14(5-6-16(22)27)19(30)26-15(20(31)32)7-10-9-24-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,24H,5-8,21H2,(H2,22,27)(H2,23,28)(H,25,29)(H,26,30)(H,31,32)/t12-,14-,15-/m0/s1
InChIKeyIHUJUZBUOFTIOB-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)
Asn-Gln-Trp (CHEBI:159708) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid