EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:165904 - Tyr-Met-Ile

ChEBI IDCHEBI:165904
ChEBI NameTyr-Met-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O5S
Net Charge0
Average Mass425.551
Monoisotopic Mass425.19844
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C20H31N3O5S/c1-4-12(2)17(20(27)28)23-19(26)16(9-10-29-3)22-18(25)15(21)11-13-5-7-14(24)8-6-13/h5-8,12,15-17,24H,4,9-11,21H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)/t12-,15-,16-,17-/m0/s1
InChIKeyCYTJBBNFJIWKGH-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)
Tyr-Met-Ile (CHEBI:165904) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylpentanoic acid