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CHEBI:159533 - Asn-Arg-Ile

Default Structure
ChEBI IDCHEBI:159533
ChEBI NameAsn-Arg-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N7O5
Net Charge0
Average Mass401.468
Monoisotopic Mass401.23867
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C16H31N7O5/c1-3-8(2)12(15(27)28)23-14(26)10(5-4-6-21-16(19)20)22-13(25)9(17)7-11(18)24/h8-10,12H,3-7,17H2,1-2H3,(H2,18,24)(H,22,25)(H,23,26)(H,27,28)(H4,19,20,21)/t8-,9-,10-,12-/m0/s1
InChIKeyMEFGKQUUYZOLHM-GMOBBJLQSA-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)
Asn-Arg-Ile (CHEBI:159533) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]-3-methylpentanoic acid