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CHEBI:159828 - Asn-His-Trp

ChEBI IDCHEBI:159828
ChEBI NameAsn-His-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N7O5
Net Charge0
Average Mass455.475
Monoisotopic Mass455.19172
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H25N7O5/c22-14(7-18(23)29)19(30)27-16(6-12-9-24-10-26-12)20(31)28-17(21(32)33)5-11-8-25-15-4-2-1-3-13(11)15/h1-4,8-10,14,16-17,25H,5-7,22H2,(H2,23,29)(H,24,26)(H,27,30)(H,28,31)(H,32,33)/t14-,16-,17-/m0/s1
InChIKeyJRCASHGTXZYSPW-XIRDDKMYSA-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-His-Trp (CHEBI:159828) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid