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CHEBI:158646 - Ile-Met-Tyr

ChEBI IDCHEBI:158646
ChEBI NameIle-Met-Tyr
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O5S
Net Charge0
Average Mass425.551
Monoisotopic Mass425.19844
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C20H31N3O5S/c1-4-12(2)17(21)19(26)22-15(9-10-29-3)18(25)23-16(20(27)28)11-13-5-7-14(24)8-6-13/h5-8,12,15-17,24H,4,9-11,21H2,1-3H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1
InChIKeyUOPBQSJRBONRON-STECZYCISA-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)
Ile-Met-Tyr (CHEBI:158646) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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