In-Silico Structure Database (LMISSD)

H NH O O P HO O O OH H HO HO OH OH OH
Common Name
PI-Cer(d14:1(8E)/24:0)
Systematic Name
N-(tetracosanoyl)-8E-tetradecasphingenine-1-phospho-(1'-myo-inositol)
LM ID
LMSP03039AH9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
835.593852
Formula
C44H86NO11P
Download as...
MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoinositols [SP0303]

String Representations

InChiKey (Click to copy)
SVTNXZFVULNIOO-IGIHGILZSA-N
InChi (Click to copy)
InChI=1S/C44H86NO11P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-38(47)45-36(37(46)33-31-29-27-25-12-10-8-6-4-2)35-55-57(53,54)56-44-42(51)40(49)39(48)41(50)43(44)52/h12,25,36-37,39-44,46,48-52H,3-11,13-24,26-35H2,1-2H3,(H,45,47)(H,53,54)/b25-12+/t36-,37+,39?,40+,41?,42?,43?,44+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCC

References

Other Databases