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CHEBI:160567 - Asp-Gly-His

ChEBI IDCHEBI:160567
ChEBI NameAsp-Gly-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17N5O6
Net Charge0
Average Mass327.297
Monoisotopic Mass327.11788
SMILESN[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C12H17N5O6/c13-7(2-10(19)20)11(21)15-4-9(18)17-8(12(22)23)1-6-3-14-5-16-6/h3,5,7-8H,1-2,4,13H2,(H,14,16)(H,15,21)(H,17,18)(H,19,20)(H,22,23)/t7-,8-/m0/s1
InChIKeyZSVJVIOVABDTTL-YUMQZZPRSA-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-Gly-His (CHEBI:160567) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[2-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid