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CHEBI:160835 - Met-Ile-Ser

ChEBI IDCHEBI:160835
ChEBI NameMet-Ile-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O5S
Net Charge0
Average Mass349.453
Monoisotopic Mass349.16714
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H27N3O5S/c1-4-8(2)11(13(20)16-10(7-18)14(21)22)17-12(19)9(15)5-6-23-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9-,10-,11-/m0/s1
InChIKeyFWAHLGXNBLWIKB-NAKRPEOUSA-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-Ile-Ser (CHEBI:160835) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
Manual XrefsDatabases
8078619ChemSpider