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CHEBI:160647 - Asp-Ile-Ile

ChEBI IDCHEBI:160647
ChEBI NameAsp-Ile-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H29N3O6
Net Charge0
Average Mass359.423
Monoisotopic Mass359.20564
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C16H29N3O6/c1-5-8(3)12(18-14(22)10(17)7-11(20)21)15(23)19-13(16(24)25)9(4)6-2/h8-10,12-13H,5-7,17H2,1-4H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)/t8-,9-,10-,12-,13-/m0/s1
InChIKeyNHSDEZURHWEZPN-SXTJYALSSA-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)
Asp-Ile-Ile (CHEBI:160647) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid