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CHEBI:160506 - Met-Arg-Ile

ChEBI IDCHEBI:160506
ChEBI NameMet-Arg-Ile
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](CCCN=C(N)N)NC(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C17H34N6O4S/c1-4-10(2)13(16(26)27)23-15(25)12(6-5-8-21-17(19)20)22-14(24)11(18)7-9-28-3/h10-13H,4-9,18H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)/t10-,11-,12-,13-/m0/s1
InChIKeyZEDVFJPQNNBMST-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-Arg-Ile (CHEBI:160506) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid