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CHEBI:163541 - Gly-Asp-Ile

Default Structure
ChEBI IDCHEBI:163541
ChEBI NameGly-Asp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6
Net Charge0
Average Mass303.315
Monoisotopic Mass303.14304
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)O
InChIInChI=1S/C12H21N3O6/c1-3-6(2)10(12(20)21)15-11(19)7(4-9(17)18)14-8(16)5-13/h6-7,10H,3-5,13H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)(H,20,21)/t6-,7-,10-/m0/s1
InChIKeyXBWMTPAIUQIWKA-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)
Gly-Asp-Ile (CHEBI:163541) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid