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CHEBI:158752 - Ile-Ser-Met

ChEBI IDCHEBI:158752
ChEBI NameIle-Ser-Met
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](CO)C(=O)N[C@@H](CCSC)C(=O)O
InChIInChI=1S/C14H27N3O5S/c1-4-8(2)11(15)13(20)17-10(7-18)12(19)16-9(14(21)22)5-6-23-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t8-,9-,10-,11-/m0/s1
InChIKeyQQVXERGIFIRCGW-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-Ser-Met (CHEBI:158752) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulanylbutanoic acid