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CHEBI:158640 - Ile-Met-Ser

Default Structure
ChEBI IDCHEBI:158640
ChEBI NameIle-Met-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O5S
Net Charge0
Average Mass349.453
Monoisotopic Mass349.16714
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C14H27N3O5S/c1-4-8(2)11(15)13(20)16-9(5-6-23-3)12(19)17-10(7-18)14(21)22/h8-11,18H,4-7,15H2,1-3H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9-,10-,11-/m0/s1
InChIKeyNPAYJTAXWXJKLO-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)
Ile-Met-Ser (CHEBI:158640) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-hydroxypropanoic acid