In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019ABX |
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Common Name | SM(d14:0/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | N-(5Z,8Z,11Z,13E-eicosatetraenoyl)-tetradecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C39H73N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | XFQXOHFNXHZYKO-GUZOWVBESA-N |
InChI | InChI=1S/C39H73N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-39(4 3)40-37(36-47-48(44,45)46-35-34-41(3,4)5)38(42)32-30-28-26-24-15-13-11-9-7-2/h16 -19,21-22,25,27,37-38,42H,6-15,20,23-24,26,28-36H2,1-5H3,(H-,40,43,44,45)/b17-16 +,19-18-,22-21-,27-25-/t37-,38+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)[C@] ([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |