In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019COZ |
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Common Name | SM(d20:1(8E)/10:0) |
Systematic Name | N-(decanoyl)-4E-eicosasphingenine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C35H71N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | BLWYZRDKCILFQP-MDMRMPBGSA-N |
InChI | InChI=1S/C35H71N2O6P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-24-26-28-34(38)33(3 2-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-22-13-11-9-7-2/h20-21,33-34,38 H,6-19,22-32H2,1-5H3,(H-,36,39,40,41)/b21-20+/t33-,34+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCC CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |