EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158171 - Ile-Arg-Asn

Default Structure
ChEBI IDCHEBI:158171
ChEBI NameIle-Arg-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N7O5
Net Charge0
Average Mass401.468
Monoisotopic Mass401.23867
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C16H31N7O5/c1-3-8(2)12(18)14(26)22-9(5-4-6-21-16(19)20)13(25)23-10(15(27)28)7-11(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)/t8-,9-,10-,12-/m0/s1
InChIKeyBOTVMTSMOUSDRW-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)
Ile-Arg-Asn (CHEBI:158171) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid