In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039DES |
---|---|
Common Name | PC(P-14:0/20:5(5Z,8Z,11Z,14Z,17Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-34:5); PC(P-14:0/20:5) |
Exact Mass | |
Formula | C42H74NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | MEJIQECGQNBEIU-LNXQQVFHSA-N |
InChI | InChI=1S/C42H74NO7P/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/h8,10,14,16,20-21,23-24,27,29,34,37,41H,6-7,9,11-13,15,17-19,22,25-26,28,30 -33,35-36,38-40H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,37-34-/t41-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O) CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |