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CHEBI:162952 - Glu-His-Gln

ChEBI IDCHEBI:162952
ChEBI NameGlu-His-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24N6O7
Net Charge0
Average Mass412.403
Monoisotopic Mass412.17065
SMILESNC(=O)CC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C16H24N6O7/c17-9(1-4-13(24)25)14(26)22-11(5-8-6-19-7-20-8)15(27)21-10(16(28)29)2-3-12(18)23/h6-7,9-11H,1-5,17H2,(H2,18,23)(H,19,20)(H,21,27)(H,22,26)(H,24,25)(H,28,29)/t9-,10-,11-/m0/s1
InChIKeyXOIATPHFYVWFEU-DCAQKATOSA-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)
Glu-His-Gln (CHEBI:162952) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-amino-5-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid