In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019B4V |
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Common Name | SM(d18:2(4E,8E)/12:0) |
Systematic Name | N-(dodecanoyl)-4E,8E-sphingadienine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C35H69N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | VOWAQSWYTRWBEO-SCDTZARMSA-N |
InChI | InChI=1S/C35H69N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-4 4(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h19,21,26,28,33 -34,38H,6-18,20,22-25,27,29-32H2,1-5H3,(H-,36,39,40,41)/b21-19+,28-26+/t33-,34+/ m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C /CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |