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CHEBI:159991 - Asn-Met-Tyr

ChEBI IDCHEBI:159991
ChEBI NameAsn-Met-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N4O6S
Net Charge0
Average Mass426.495
Monoisotopic Mass426.15731
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C18H26N4O6S/c1-29-7-6-13(21-16(25)12(19)9-15(20)24)17(26)22-14(18(27)28)8-10-2-4-11(23)5-3-10/h2-5,12-14,23H,6-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,26)(H,27,28)/t12-,13-,14-/m0/s1
InChIKeyKAZKWIKPEPABOO-IHRRRGAJSA-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-Met-Tyr (CHEBI:159991) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid