In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AAV |
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Common Name | SM(d14:0/17:2(9Z,12Z)) |
Systematic Name | N-(9Z,12Z-heptadecadienoyl)-tetradecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C36H71N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | LBSGJJPKGROEAX-QSTZLRHKSA-N |
InChI | InChI=1S/C36H71N2O6P/c1-6-8-10-12-14-16-17-18-19-20-22-24-26-28-30-36(40)37-34(3 3-44-45(41,42)43-32-31-38(3,4)5)35(39)29-27-25-23-21-15-13-11-9-7-2/h12,14,17-18 ,34-35,39H,6-11,13,15-16,19-33H2,1-5H3,(H-,37,40,41,42)/b14-12-,18-17-/t34-,35+/ m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=C\C/C=C\CCCC)=O)[C@]([H])(O) CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |