In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AO0 |
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Common Name | SM(d15:0/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-pentadecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C34H69N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | QRWODEQOEFSSMR-MAIXLJATSA-N |
InChI | InChI=1S/C34H69N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-34(38)35-32(31-42-43(3 9,40)41-30-29-36(3,4)5)33(37)27-25-23-21-19-17-15-13-11-9-7-2/h12,14,32-33,37H,6 -11,13,15-31H2,1-5H3,(H-,35,38,39,40)/b14-12-/t32-,33+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)CCCCCC CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |