In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019BY0 |
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Common Name | SM(d18:1(8E)/11:0(2OH[R])) |
Systematic Name | N-(2R-hydroxyundecanoyl)-8E-sphingenine-1-phosphocholine |
Synonyms | SM(d29:1h); SM(d18:1/11:0h) |
Exact Mass | |
Formula | C34H69N2O7P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | OAMIVQGTCBQCQD-RMQBBTIKSA-N |
InChI | InChI=1S/C34H69N2O7P/c1-6-8-10-12-14-15-16-17-18-19-21-22-24-26-32(37)31(30-43-4 4(40,41)42-29-28-36(3,4)5)35-34(39)33(38)27-25-23-20-13-11-9-7-2/h18-19,31-33,37 -38H,6-17,20-30H2,1-5H3,(H-,35,39,40,41)/b19-18+/t31-,32+,33+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)CCCC/ C=C/CCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |