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CHEBI:160053 - Asn-Pro-Ile

Default Structure
ChEBI IDCHEBI:160053
ChEBI NameAsn-Pro-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26N4O5
Net Charge0
Average Mass342.396
Monoisotopic Mass342.19032
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C15H26N4O5/c1-3-8(2)12(15(23)24)18-13(21)10-5-4-6-19(10)14(22)9(16)7-11(17)20/h8-10,12H,3-7,16H2,1-2H3,(H2,17,20)(H,18,21)(H,23,24)/t8-,9-,10-,12-/m0/s1
InChIKeyNJSNXIOKBHPFMB-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-Pro-Ile (CHEBI:160053) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid