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CHEBI:164789 - Trp-Met-Thr

Default Structure
ChEBI IDCHEBI:164789
ChEBI NameTrp-Met-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O5S
Net Charge0
Average Mass436.534
Monoisotopic Mass436.17804
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C20H28N4O5S/c1-11(25)17(20(28)29)24-19(27)16(7-8-30-2)23-18(26)14(21)9-12-10-22-15-6-4-3-5-13(12)15/h3-6,10-11,14,16-17,22,25H,7-9,21H2,1-2H3,(H,23,26)(H,24,27)(H,28,29)/t11-,14+,16+,17+/m1/s1
InChIKeyMICFJCRQBFSKPA-UMPQAUOISA-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)
Trp-Met-Thr (CHEBI:164789) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoic acid