In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029ABE |
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Common Name | PC(O-14:0/20:2(11Z,14Z)) |
Systematic Name | 1-tetradecyl-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(O-34:2); PC(O-14:0/20:2) |
Exact Mass | |
Formula | C42H82NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | OPODLKUWJJQHOU-GPDPEMMZSA-N |
InChI | InChI=1S/C42H82NO7P/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/h14,16,20-21,41H,6-13,15,17-19,22-40H2,1-5H3/b16-14-,21-20-/t41-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)COCCCCCCC CCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |