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CHEBI:58170 - psychosine sulfate zwitterion

ChEBI IDCHEBI:58170
ChEBI Namepsychosine sulfate zwitterion
Stars
DefinitionZwitterionic form of psychosine sulfate arising from transfer of a proton from the sulfo to the amino group; major species at pH 7.3.
Last Modified15 February 2019
DownloadsMolfile
FormulaC24H47NO10S
Net Charge0
Average Mass541.704
Monoisotopic Mass541.29207
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1
InChIKeyUIEYIJKBVSNMMH-PIIMIWFASA-N
ChEBI Ontology
Outgoing Relation(s)
psychosine sulfate zwitterion (CHEBI:58170) is a zwitterion (CHEBI:27369)
psychosine sulfate zwitterion (CHEBI:58170) is tautomer of psychosine sulfate (CHEBI:17507)
Incoming Relation(s)
psychosine sulfate (CHEBI:17507) is tautomer of psychosine sulfate zwitterion (CHEBI:58170)
IUPAC Name 
(2S,3R,4E)-2-azaniumyl-3-hydroxyoctadec-4-en-1-yl 6-O-sulfonato-β-D-galactopyranoside
UniProt Name  Source
6-O-sulfo-β-D-galactosyl-(1↔1)-sphing-4-enineUniProt