EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158779 - Arg-Asn-Ile

ChEBI IDCHEBI:158779
ChEBI NameArg-Asn-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](CC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O
InChIInChI=1S/C16H31N7O5/c1-3-8(2)12(15(27)28)23-14(26)10(7-11(18)24)22-13(25)9(17)5-4-6-21-16(19)20/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
InChIKeyQPOARHANPULOTM-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)
Arg-Asn-Ile (CHEBI:158779) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid