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CHEBI:158644 - Ile-Met-Trp

ChEBI IDCHEBI:158644
ChEBI NameIle-Met-Trp
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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](CCSC)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H32N4O4S/c1-4-13(2)19(23)21(28)25-17(9-10-31-3)20(27)26-18(22(29)30)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,25,28)(H,26,27)(H,29,30)/t13-,17-,18-,19-/m0/s1
InChIKeyVLCMCYDZJCWPQT-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-Met-Trp (CHEBI:158644) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid