CHEBI:61403 - psicosyllysine(1+)

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ChEBI Name psicosyllysine(1+)
ChEBI ID CHEBI:61403
Definition An amino-acid cation comprising psicosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C12H25N2O7
Net Charge +1
Average Mass 309.33610
Monoisotopic Mass 309.166
InChI InChI=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
InChIKey BFSYFTQDGRDJNV-CDEVMZEPSA-O
SMILES [NH3+][C@@H](CCCC[NH2+]CC(=O)[C@H](O)[C@H](O)[C@H](O)CO)C([O-])=O
ChEBI Ontology
Outgoing psicosyllysine(1+) (CHEBI:61403) is a amino-acid cation (CHEBI:33703)
psicosyllysine(1+) (CHEBI:61403) is conjugate acid of psicosyllysine (CHEBI:61425)
Incoming 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 Sources
(2S)-2-ammonio-6-{[(3R,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]ammonio}hexanoate IUPAC
N6-(D-psicosyl)-L-lysine UniProt
psicosyllysine cation ChEBI
Manual Xref Database
PSICOSELYSINE MetaCyc
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Last Modified
26 May 2017