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CHEBI:160206 - Asn-Tyr-Gln

ChEBI IDCHEBI:160206
ChEBI NameAsn-Tyr-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H25N5O7
Net Charge0
Average Mass423.426
Monoisotopic Mass423.17540
SMILESNC(=O)CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C18H25N5O7/c19-11(8-15(21)26)16(27)23-13(7-9-1-3-10(24)4-2-9)17(28)22-12(18(29)30)5-6-14(20)25/h1-4,11-13,24H,5-8,19H2,(H2,20,25)(H2,21,26)(H,22,28)(H,23,27)(H,29,30)/t11-,12-,13-/m0/s1
InChIKeyKSZHWTRZPOTIGY-AVGNSLFASA-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-Tyr-Gln (CHEBI:160206) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid