CHEBI:164319 - His-Asp-Gln

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name His-Asp-Gln
ChEBI ID CHEBI:164319
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22N6O7
Net Charge 0
Average Mass 398.376
Monoisotopic Mass 398.15500
InChI InChI=1S/C15H22N6O7/c16-8(3-7-5-18-6-19-7)13(25)21-10(4-12(23)24)14(26)20-9(15(27)28)1-2-11(17)22/h5-6,8-10H,1-4,16H2,(H2,17,22)(H,18,19)(H,20,26)(H,21,25)(H,23,24)(H,27,28)/t8-,9-,10-/m0/s1
InChIKey AAXMRLWFJFDYQO-GUBZILKMSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing His-Asp-Gln (CHEBI:164319) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid