EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158222 - Ile-Asn-Gly

ChEBI IDCHEBI:158222
ChEBI NameIle-Asn-Gly
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O5
Net Charge0
Average Mass302.331
Monoisotopic Mass302.15902
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C12H22N4O5/c1-3-6(2)10(14)12(21)16-7(4-8(13)17)11(20)15-5-9(18)19/h6-7,10H,3-5,14H2,1-2H3,(H2,13,17)(H,15,20)(H,16,21)(H,18,19)/t6-,7-,10-/m0/s1
InChIKeyUAVQIQOOBXFKRC-BYULHYEWSA-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-Asn-Gly (CHEBI:158222) is a tripeptide (CHEBI:47923)
IUPAC Name 
2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetic acid