In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019B1V |
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Common Name | SM(d18:2(4E,14Z)/10:0) |
Systematic Name | N-(decanoyl)-4E,14Z-sphingadienine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C33H65N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | PYWZVMBLIAYFTQ-JPVPNMASSA-N |
InChI | InChI=1S/C33H65N2O6P/c1-6-8-10-12-14-15-16-17-18-19-21-22-24-26-32(36)31(30-41-4 2(38,39)40-29-28-35(3,4)5)34-33(37)27-25-23-20-13-11-9-7-2/h10,12,24,26,31-32,36 H,6-9,11,13-23,25,27-30H2,1-5H3,(H-,34,37,38,39)/b12-10-,26-24+/t31-,32+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC /C=C\CCC |
MS Spectra | - |
Status | Active (generated by computational methods) |