EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159444 - Arg-Val-Gln

ChEBI IDCHEBI:159444
ChEBI NameArg-Val-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N7O5
Net Charge0
Average Mass401.468
Monoisotopic Mass401.23867
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C16H31N7O5/c1-8(2)12(14(26)22-10(15(27)28)5-6-11(18)24)23-13(25)9(17)4-3-7-21-16(19)20/h8-10,12H,3-7,17H2,1-2H3,(H2,18,24)(H,22,26)(H,23,25)(H,27,28)(H4,19,20,21)/t9-,10-,12-/m0/s1
InChIKeyLLQIAIUAKGNOSE-NHCYSSNCSA-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)
Arg-Val-Gln (CHEBI:159444) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
57542225ChemSpider