In-Silico Structure database (LMISSD)
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LM ID | LMGP01039ABK |
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Common Name | PC(P-16:0/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-36:4); PC(P-16:0/20:4) |
Exact Mass | |
Formula | C44H80NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | BYPLTJLMYLRMLB-GJYMWMNGSA-N |
InChI | InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46 )52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-1 3-11-9-7-2/h16,18,20,22,24-25,29,31,36,39,43H,6-15,17,19,21,23,26-28,30,32-35,37 -38,40-42H2,1-5H3/b18-16+,22-20-,25-24-,31-29-,39-36-/t43-/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\CCCCCC)=O)CO/C =C\CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |