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CHEBI:166079 - Val-Arg-Gln

ChEBI IDCHEBI:166079
ChEBI NameVal-Arg-Gln
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N7O5
Net Charge0
Average Mass401.468
Monoisotopic Mass401.23867
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C16H31N7O5/c1-8(2)12(18)14(26)22-9(4-3-7-21-16(19)20)13(25)23-10(15(27)28)5-6-11(17)24/h8-10,12H,3-7,18H2,1-2H3,(H2,17,24)(H,22,26)(H,23,25)(H,27,28)(H4,19,20,21)/t9-,10-,12-/m0/s1
InChIKeyJIODCDXKCJRMEH-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)
Val-Arg-Gln (CHEBI:166079) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid