EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160597 - Asp-His-Cys

ChEBI IDCHEBI:160597
ChEBI NameAsp-His-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N5O6S
Net Charge0
Average Mass373.391
Monoisotopic Mass373.10560
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C13H19N5O6S/c14-7(2-10(19)20)11(21)17-8(1-6-3-15-5-16-6)12(22)18-9(4-25)13(23)24/h3,5,7-9,25H,1-2,4,14H2,(H,15,16)(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t7-,8-,9-/m0/s1
InChIKeyCMCIMCAQIULNDJ-CIUDSAMLSA-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)
Asp-His-Cys (CHEBI:160597) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1R)-1-carboxy-2-sulanylethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid