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CHEBI:162381 - Pro-Ile-Asn

ChEBI IDCHEBI:162381
ChEBI NamePro-Ile-Asn
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]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C15H26N4O5/c1-3-8(2)12(19-13(21)9-5-4-6-17-9)14(22)18-10(15(23)24)7-11(16)20/h8-10,12,17H,3-7H2,1-2H3,(H2,16,20)(H,18,22)(H,19,21)(H,23,24)/t8-,9-,10-,12-/m0/s1
InChIKeyBBFRBZYKHIKFBX-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)
Pro-Ile-Asn (CHEBI:162381) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-oxobutanoic acid