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CHEBI:61403 - psicosyllysine(1+)

ChEBI IDCHEBI:61403
ChEBI Namepsicosyllysine(1+)
Stars
DefinitionAn amino-acid cation comprising psicosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3.
Last Modified26 May 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H25N2O7
Net Charge+1
Average Mass309.339
Monoisotopic Mass309.16563
SMILES[NH3+][C@@H](CCCC[NH2+]CC(=O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)[O-]
InChIInChI=1S/C12H24N2O7/c13-7(12(20)21)3-1-2-4-14-5-8(16)10(18)11(19)9(17)6-15/h7,9-11,14-15,17-19H,1-6,13H2,(H,20,21)/p+1/t7-,9+,10-,11+/m0/s1
InChIKeyBFSYFTQDGRDJNV-CDEVMZEPSA-O
ChEBI Ontology
Outgoing Relation(s)
psicosyllysine(1+) (CHEBI:61403) is a amino-acid cation (CHEBI:33703)
psicosyllysine(1+) (CHEBI:61403) is conjugate acid of psicosyllysine (CHEBI:61425)
Incoming Relation(s)
psicosyllysine (CHEBI:61425) is conjugate base of psicosyllysine(1+) (CHEBI:61403)
IUPAC Name 
(2S)-2-azaniumyl-6-{[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]azaniumyl}hexanoate
Synonyms  Source
psicosyllysine cationChEBI
(2S)-2-ammonio-6-{[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]ammonio}hexanoateIUPAC
UniProt Name  Source
N6-(D-psicosyl)-L-lysineUniProt
Manual XrefsDatabases
PSICOSELYSINEMetaCyc