EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161081 - Met-Ser-Trp

ChEBI IDCHEBI:161081
ChEBI NameMet-Ser-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N4O5S
Net Charge0
Average Mass422.507
Monoisotopic Mass422.16239
SMILESCSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H26N4O5S/c1-29-7-6-13(20)17(25)23-16(10-24)18(26)22-15(19(27)28)8-11-9-21-14-5-3-2-4-12(11)14/h2-5,9,13,15-16,21,24H,6-8,10,20H2,1H3,(H,22,26)(H,23,25)(H,27,28)/t13-,15-,16-/m0/s1
InChIKeyMNGBICITWAPGAS-BPUTZDHNSA-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)
Met-Ser-Trp (CHEBI:161081) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid