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CHEBI:158833 - Ile-Trp-Met

ChEBI IDCHEBI:158833
ChEBI NameIle-Trp-Met
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC22H32N4O4S
Net Charge0
Average Mass448.589
Monoisotopic Mass448.21443
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCSC)C(=O)O
InChIInChI=1S/C22H32N4O4S/c1-4-13(2)19(23)21(28)26-18(20(27)25-17(22(29)30)9-10-31-3)11-14-12-24-16-8-6-5-7-15(14)16/h5-8,12-13,17-19,24H,4,9-11,23H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t13-,17-,18-,19-/m0/s1
InChIKeyCRYJOCSSSACEAA-VKOGCVSHSA-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-Trp-Met (CHEBI:158833) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulanylbutanoic acid