In-Silico Structure Database (LMISSD)

Common Name
CerP(d18:2(4E,8E)/20:1(11Z)(2OH[R]))
Systematic Name
N-(2R-hydroxy-11Z-eicosenoyl)-4E,8E-sphingadienine-1-phosphate
LM ID
LMSP02059B53
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
685.504642
Formula
C38H72NO7P
Download as...
MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
Ceramide 1-phosphates [SP0205]

String Representations

InChiKey (Click to copy)
ZBRDZBJRLVUTSW-VRRBTWKASA-N
InChi (Click to copy)
InChI=1S/C38H72NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(41)38(42)39-35(34-46-47(43,44)45)36(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,22,24,30,32,35-37,40-41H,3-16,19-21,23,25-29,31,33-34H2,1-2H3,(H,39,42)(H2,43,44,45)/b18-17-,24-22+,32-30+/t35-,36+,37+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(NC([C@H](O)CCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCCCC

References

Other Databases