In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019AAD |
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Common Name | SM(d14:0/11:0) |
Systematic Name | N-(undecanoyl)-tetradecasphinganine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C30H63N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | NTKDUEHFVMTLJQ-URLMMPGGSA-N |
InChI | InChI=1S/C30H63N2O6P/c1-6-8-10-12-14-16-17-19-21-23-29(33)28(27-38-39(35,36)37-2 6-25-32(3,4)5)31-30(34)24-22-20-18-15-13-11-9-7-2/h28-29,33H,6-27H2,1-5H3,(H-,31 ,34,35,36)/t28-,29+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |