CHEBI:161958 - Gln-Asn-His

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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 Gln-Asn-His
ChEBI ID CHEBI:161958
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H23N7O6
Net Charge 0
Average Mass 397.392
Monoisotopic Mass 397.17098
InChI InChI=1S/C15H23N7O6/c16-8(1-2-11(17)23)13(25)21-9(4-12(18)24)14(26)22-10(15(27)28)3-7-5-19-6-20-7/h5-6,8-10H,1-4,16H2,(H2,17,23)(H2,18,24)(H,19,20)(H,21,25)(H,22,26)(H,27,28)/t8-,9-,10-/m0/s1
InChIKey LLVXTGUTDYMJLY-GUBZILKMSA-N
SMILES O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N
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 Gln-Asn-His (CHEBI:161958) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid