In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019A85 |
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Common Name | SM(d16:1(8E)/13:0) |
Systematic Name | N-(tridecanoyl)-8E-hexadecasphingenine-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 | DMLSBTOJXQCMAZ-ZFJNSVPTSA-N |
InChI | InChI=1S/C34H69N2O6P/c1-6-8-10-12-14-16-18-19-21-23-25-27-33(37)32(31-42-43(39,4 0)41-30-29-36(3,4)5)35-34(38)28-26-24-22-20-17-15-13-11-9-7-2/h18-19,32-33,37H,6 -17,20-31H2,1-5H3,(H-,35,38,39,40)/b19-18+/t32-,33+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/C CCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |