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CHEBI:164439 - His-Glu-Gln

ChEBI IDCHEBI:164439
ChEBI NameHis-Glu-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](CCC(=O)O)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C16H24N6O7/c17-9(5-8-6-19-7-20-8)14(26)21-10(2-4-13(24)25)15(27)22-11(16(28)29)1-3-12(18)23/h6-7,9-11H,1-5,17H2,(H2,18,23)(H,19,20)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/t9-,10-,11-/m0/s1
InChIKeyBQFGKVYHKCNEMF-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)
His-Glu-Gln (CHEBI:164439) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
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