In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AAH |
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Common Name | SM(d14:0/13:0) |
Systematic Name | N-(tridecanoyl)-tetradecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C32H67N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | VBMZMWFMLWOIIH-IOWSJCHKSA-N |
InChI | InChI=1S/C32H67N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-32(36)33-30(29-40-41(37,3 8)39-28-27-34(3,4)5)31(35)25-23-21-19-17-15-13-11-9-7-2/h30-31,35H,6-29H2,1-5H3, (H-,33,36,37,38)/t30-,31+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCC C |
MS Spectra | - |
Status | Active (generated by computational methods) |