In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019ARW |
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Common Name | SM(d15:1(4E)/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-4E-pentadecasphingenine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C34H67N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | RCOFYKJJSBNQPS-QXZQYUCXSA-N |
InChI | InChI=1S/C34H67N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-34(38)35-32(31-42-43(3 9,40)41-30-29-36(3,4)5)33(37)27-25-23-21-19-17-15-13-11-9-7-2/h12,14,25,27,32-33 ,37H,6-11,13,15-24,26,28-31H2,1-5H3,(H-,35,38,39,40)/b14-12-,27-25+/t32-,33+/m0/ s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)/C=C/C CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |