EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161399 - Cys-His-Ile

ChEBI IDCHEBI:161399
ChEBI NameCys-His-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H25N5O4S
Net Charge0
Average Mass371.463
Monoisotopic Mass371.16273
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C15H25N5O4S/c1-3-8(2)12(15(23)24)20-14(22)11(4-9-5-17-7-18-9)19-13(21)10(16)6-25/h5,7-8,10-12,25H,3-4,6,16H2,1-2H3,(H,17,18)(H,19,21)(H,20,22)(H,23,24)/t8-,10-,11-,12-/m0/s1
InChIKeyWZZGXXNRSZIQFC-VGDYDELISA-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)
Cys-His-Ile (CHEBI:161399) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid