In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029ABG |
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Common Name | PC(O-14:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-tetradecyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(O-34:3); PC(O-14:0/20:3) |
Exact Mass | |
Formula | C42H80NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | BVCFGAHQWFJLFO-HEQWELKFSA-N |
InChI | InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-42(44 )50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-19-17-15-13-11-9 -7-2/h20-21,23-24,27,29,41H,6-19,22,25-26,28,30-40H2,1-5H3/b21-20-,24-23-,29-27- /t41-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COCCCC CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |