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CHEBI:160808 - Met-Ile-Arg

ChEBI IDCHEBI:160808
ChEBI NameMet-Ile-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H34N6O4S
Net Charge0
Average Mass418.564
Monoisotopic Mass418.23622
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C17H34N6O4S/c1-4-10(2)13(23-14(24)11(18)7-9-28-3)15(25)22-12(16(26)27)6-5-8-21-17(19)20/h10-13H,4-9,18H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)(H4,19,20,21)/t10-,11-,12-,13-/m0/s1
InChIKeyAEQVPPGEJJBFEE-CYDGBPFRSA-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)
Met-Ile-Arg (CHEBI:160808) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
16573191ChemSpider