In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AAK |
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Common Name | SM(d14:0/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-tetradecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C33H67N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | WSNPMQDVDJMTGA-QQTFGWLKSA-N |
InChI | InChI=1S/C33H67N2O6P/c1-6-8-10-12-14-16-17-19-21-23-25-27-33(37)34-31(30-41-42(3 8,39)40-29-28-35(3,4)5)32(36)26-24-22-20-18-15-13-11-9-7-2/h12,14,31-32,36H,6-11 ,13,15-30H2,1-5H3,(H-,34,37,38,39)/b14-12-/t31-,32+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)CCCCCC CCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |