EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:157814 - His-Met-Cys

ChEBI IDCHEBI:157814
ChEBI NameHis-Met-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N5O4S2
Net Charge0
Average Mass389.503
Monoisotopic Mass389.11915
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1cncn1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C14H23N5O4S2/c1-25-3-2-10(13(21)19-11(6-24)14(22)23)18-12(20)9(15)4-8-5-16-7-17-8/h5,7,9-11,24H,2-4,6,15H2,1H3,(H,16,17)(H,18,20)(H,19,21)(H,22,23)/t9-,10-,11-/m0/s1
InChIKeyBMZLDCQIWUHVRS-DCAQKATOSA-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)
His-Met-Cys (CHEBI:157814) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-sulanylpropanoic acid