RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0119043
RefMet namePsychosine sulfate
Systematic name(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside 6-(hydrogen sulfate)
SynonymsPubChem Synonyms
Exact mass541.292071 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC24H47NO10SView other entries in RefMet with this formula
Molecular descriptors
Molfile34360 (Download molfile/View MW Metabolite Database details)
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-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](COS(=O)(=O)O)O1)O)O)O)N)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassSphingolipids
Main ClassSphingoid bases
Sub ClassSphingoid base analogs
Distribution of Psychosine sulfate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Psychosine sulfate
External Links
Pubchem CID5280538
LIPID MAPSLMSP08000002
ChEBI ID17507
KEGG IDC02744
HMDB IDHMDB0013046
MetaCyc IDCPD-518
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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