In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019ABF |
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Common Name | SM(d14:0/18:3(9Z,12Z,15Z)) |
Systematic Name | N-(9Z,12Z,15Z-octadecatrienoyl)-tetradecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C37H71N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | VUBUDIUGATXPMV-ORUJKXCPSA-N |
InChI | InChI=1S/C37H71N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-37(41)38-3 5(34-45-46(42,43)44-33-32-39(3,4)5)36(40)30-28-26-24-22-15-13-11-9-7-2/h8,10,14, 16,18-19,35-36,40H,6-7,9,11-13,15,17,20-34H2,1-5H3,(H-,38,41,42,43)/b10-8-,16-14 -,19-18-/t35-,36+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)[C@]([H] )(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |