In-Silico Structure database (LMISSD)
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LM ID | LMGP01039AGA |
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Common Name | PC(P-16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-36:6); PC(P-16:1/20:5) |
Exact Mass | |
Formula | C44H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | DZWUFYRAHXNLEB-SYIBEYQLSA-N |
InChI | InChI=1S/C44H76NO7P/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/h8,10,14,16-17,19-20,22,24-25,29,31,36,39,43H,6-7,9,11-13,15,18,21,23 ,26-28,30,32-35,37-38,40-42H2,1-5H3/b10-8-,16-14-,19-17-,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=C\C/C=C\CC)=O) CO/C=C\CCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |