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CHEBI:159772 - Asn-Gly-Ile

ChEBI IDCHEBI:159772
ChEBI NameAsn-Gly-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N4O5
Net Charge0
Average Mass302.331
Monoisotopic Mass302.15902
SMILESCC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C12H22N4O5/c1-3-6(2)10(12(20)21)16-9(18)5-15-11(19)7(13)4-8(14)17/h6-7,10H,3-5,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,10-/m0/s1
InChIKeyPBSQFBAJKPLRJY-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)
Asn-Gly-Ile (CHEBI:159772) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoic acid