CHEBI:164531 - His-His-Lys

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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-His-Lys
ChEBI ID CHEBI:164531
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H28N8O4
Net Charge 0
Average Mass 420.474
Monoisotopic Mass 420.22335
InChI InChI=1S/C18H28N8O4/c19-4-2-1-3-14(18(29)30)25-17(28)15(6-12-8-22-10-24-12)26-16(27)13(20)5-11-7-21-9-23-11/h7-10,13-15H,1-6,19-20H2,(H,21,23)(H,22,24)(H,25,28)(H,26,27)(H,29,30)/t13-,14-,15-/m0/s1
InChIKey AKAPKBNIVNPIPO-KKUMJFAQSA-N
SMILES O=C(N[C@@H](CCCCN)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1NC=NC1)CC=2NC=NC2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing His-His-Lys (CHEBI:164531) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
Manual Xref Database
16571647 ChemSpider
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