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CHEBI:159840 - Asn-Ile-Asp

ChEBI IDCHEBI:159840
ChEBI NameAsn-Ile-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24N4O7
Net Charge0
Average Mass360.367
Monoisotopic Mass360.16450
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C14H24N4O7/c1-3-6(2)11(18-12(22)7(15)4-9(16)19)13(23)17-8(14(24)25)5-10(20)21/h6-8,11H,3-5,15H2,1-2H3,(H2,16,19)(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t6-,7-,8-,11-/m0/s1
InChIKeyANPFQTJEPONRPL-UGYAYLCHSA-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-Ile-Asp (CHEBI:159840) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid