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CHEBI:160151 - Asn-Thr-Trp

ChEBI IDCHEBI:160151
ChEBI NameAsn-Thr-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25N5O6
Net Charge0
Average Mass419.438
Monoisotopic Mass419.18048
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H25N5O6/c1-9(25)16(24-17(27)12(20)7-15(21)26)18(28)23-14(19(29)30)6-10-8-22-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,16,22,25H,6-7,20H2,1H3,(H2,21,26)(H,23,28)(H,24,27)(H,29,30)/t9-,12+,14+,16+/m1/s1
InChIKeyXCBKBPRFACFFOO-AQZXSJQPSA-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-Thr-Trp (CHEBI:160151) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid