EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158736 - Ile-Ser-Cys

ChEBI IDCHEBI:158736
ChEBI NameIle-Ser-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O5S
Net Charge0
Average Mass321.399
Monoisotopic Mass321.13584
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C12H23N3O5S/c1-3-6(2)9(13)11(18)14-7(4-16)10(17)15-8(5-21)12(19)20/h6-9,16,21H,3-5,13H2,1-2H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7-,8-,9-/m0/s1
InChIKeyFBGXMKUWQFPHFB-JBDRJPRFSA-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-Cys (CHEBI:158736) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulanylpropanoic acid