In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019BV6 |
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Common Name | SM(d18:1(4E)/12:0(2OH[R])) |
Systematic Name | N-(2R-hydroxytridecanoyl)-4E-sphingenine-1-phosphocholine |
Synonyms | SM(d30:1h); SM(d18:1/12:0h) |
Exact Mass | |
Formula | C35H71N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | CFDSUEMNOLHOIN-GXWSVIJHSA-N |
InChI | InChI=1S/C35H71N2O7P/c1-6-8-10-12-14-16-17-18-19-20-22-23-25-27-33(38)32(31-44-4 5(41,42)43-30-29-37(3,4)5)36-35(40)34(39)28-26-24-21-15-13-11-9-7-2/h25,27,32-34 ,38-39H,6-24,26,28-31H2,1-5H3,(H-,36,40,41,42)/b27-25+/t32-,33+,34+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCCC)=O)[C@]([H])(O)/C=C /CCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |