In-Silico Structure database (LMISSD)
| |
LM ID | LMSP03019A88 |
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Common Name | SM(d16:1(8E)/14:1(9Z)) |
Systematic Name | N-(9Z-tetradecenoyl)-8E-hexadecasphingenine-1-phosphocholine |
Synonyms | - |
Exact Mass | |
Formula | C35H69N2O6P |
Category | Sphingolipids [SP] |
Main Class | Phosphosphingolipids [SP03] |
Sub Class | Ceramide phosphocholines (sphingomyelins) [SP0301] |
PubChem Compound ID (CID) | - |
InChIKey | GHHWPMBCIKTATM-CMTMFUONSA-N |
InChI | InChI=1S/C35H69N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-34(38)33(32-43-44(40,4 1)42-31-30-37(3,4)5)36-35(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h13,15,18,20,33 -34,38H,6-12,14,16-17,19,21-32H2,1-5H3,(H-,36,39,40,41)/b15-13-,20-18+/t33-,34+/ m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=C\CCCC)=O)[C@]([H])(O)CCCC/C =C/CCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |