CHEBI:161511 - Cys-Lys-Gln

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Cys-Lys-Gln
ChEBI ID CHEBI:161511
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H27N5O5S
Net Charge 0
Average Mass 377.460
Monoisotopic Mass 377.17329
InChI InChI=1S/C14H27N5O5S/c15-6-2-1-3-9(18-12(21)8(16)7-25)13(22)19-10(14(23)24)4-5-11(17)20/h8-10,25H,1-7,15-16H2,(H2,17,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,10-/m0/s1
InChIKey GDNWBSFSHJVXKL-GUBZILKMSA-N
SMILES SC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Cys-Lys-Gln (CHEBI:161511) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid