In-Silico Structure database (LMISSD)
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LM ID | LMGP04019AD7 |
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Common Name | PG(11:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)) |
Systematic Name | 1-undecanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho- (1'-sn-glycerol) |
Synonyms | PG(33:6); PG(11:0_22:6) |
Exact Mass | |
Formula | C39H65O10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | Diacylglycerophosphoglycerols [GP0401] |
PubChem Compound ID (CID) | - |
InChIKey | KFDVKVRWZGMUPW-ZGEABTEDSA-N |
InChI | InChI=1S/C39H65O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-3 9(43)49-37(35-48-50(44,45)47-33-36(41)32-40)34-46-38(42)30-28-26-24-12-10-8-6-4- 2/h5,7,11,13,16-19,21-22,25,27,36-37,40-41H,3-4,6,8-10,12,14-15,20,23-24,26,28-3 5H2,1-2H3,(H,44,45)/b7-5-,13-11-,17-16+,19-18-,22-21-,27-25-/t36-,37+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(C CCCCCCCCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |