EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161144 - Cys-Arg-Val

ChEBI IDCHEBI:161144
ChEBI NameCys-Arg-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H28N6O4S
Net Charge0
Average Mass376.483
Monoisotopic Mass376.18927
SMILESCC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C14H28N6O4S/c1-7(2)10(13(23)24)20-12(22)9(4-3-5-18-14(16)17)19-11(21)8(15)6-25/h7-10,25H,3-6,15H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H4,16,17,18)/t8-,9-,10-/m0/s1
InChIKeyXGIAHEUULGOZHH-GUBZILKMSA-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-Arg-Val (CHEBI:161144) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoic acid