In-Silico Structure database (LMISSD)
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LM ID | LMGP04039AD7 |
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Common Name | PG(P-16:1(11Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero- 3-phospho-(1'-sn-glycerol) |
Synonyms | PG(P-38:7); PG(P-16:1/22:6) |
Exact Mass | |
Formula | C44H73O9P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403] |
PubChem Compound ID (CID) | - |
InChIKey | AKCIQDABCJEBGR-PYRWJUOLSA-N |
InChI | InChI=1S/C44H73O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-44 (47)53-43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-18-16-14-1 2-10-8-6-4-2/h5,7,10-13,19-22,24,26,30,32,35,37,42-43,45-46H,3-4,6,8-9,14-18,23, 25,27-29,31,33-34,36,38-41H2,1-2H3,(H,48,49)/b7-5-,12-10-,13-11-,20-19+,22-21-,2 6-24-,32-30-,37-35-/t42-,43+/m0/s1 |
SMILES | [C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O )CO)CO/C=C\CCCCCCCC/C=C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |