In-Silico Structure database (LMISSD)
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LM ID | LMGP06019DVF |
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Common Name | PI(22:5(4Z,7Z,10Z,13Z,16Z)/11:0) |
Systematic Name | 1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-undecanoyl-sn-glycero-3- phosphoinositol |
Synonyms | PI(33:5); PI(11:0_22:5) |
Exact Mass | |
Formula | C42H71O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | QZSYCGKGMDZSCL-STVMKHJESA-N |
InChI | InChI=1S/C42H71O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-26-28-30-3 5(43)52-32-34(54-36(44)31-29-27-24-12-10-8-6-4-2)33-53-56(50,51)55-42-40(48)38(4 6)37(45)39(47)41(42)49/h11,13,15-16,18-19,21-22,25-26,34,37-42,45-49H,3-10,12,14 ,17,20,23-24,27-33H2,1-2H3,(H,50,51)/b13-11-,16-15-,19-18-,22-21-,26-25-/t34-,37 ?,38-,39?,40?,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CC/C=C \C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |