In-Silico Structure database (LMISSD)
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LM ID | LMGP04019AD6 |
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Common Name | PG(11:0/22:5(7Z,10Z,13Z,16Z,19Z)) |
Systematic Name | 1-undecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'- sn-glycerol) |
Synonyms | PG(33:5); PG(11:0_22:5) |
Exact Mass | |
Formula | C39H67O10P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoglycerols [GP04] |
Sub Class | Diacylglycerophosphoglycerols [GP0401] |
PubChem Compound ID (CID) | - |
InChIKey | NQVDLAXGPGOYIH-OFRRACIWSA-N |
InChI | InChI=1S/C39H67O10P/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/h5,7,11,13,15-16,18-19,21-22,36-37,40-41H,3-4,6,8-10,12,14,17,20,23-35H2,1-2H3 ,(H,44,45)/b7-5-,13-11-,16-15-,19-18-,22-21-/t36-,37+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCC CCCCCCC)=O)(=O)O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |