In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019ADL |
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Common Name | SM(d14:1(4E)/16:0) |
Systematic Name | N-(hexadecanoyl)-4E-tetradecasphingenine-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 | KSUBHIPBMPOXPG-FEBLJDHQSA-N |
InChI | InChI=1S/C35H71N2O6P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-35(39)36-33(32-4 3-44(40,41)42-31-30-37(3,4)5)34(38)28-26-24-22-20-15-13-11-9-7-2/h26,28,33-34,38 H,6-25,27,29-32H2,1-5H3,(H-,36,39,40,41)/b28-26+/t33-,34+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |