In-Silico Structure database (LMISSD)
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LM ID | LMGP06019ABU |
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Common Name | PI(10:0/22:5(4Z,7Z,10Z,13Z,16Z)) |
Systematic Name | 1-decanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(32:5); PI(10:0_22:5) |
Exact Mass | |
Formula | C41H69O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | QINDFJVQDZAQQT-RWAVZMJVSA-N |
InChI | InChI=1S/C41H69O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-3 5(43)53-33(31-51-34(42)29-27-25-23-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)3 6(44)38(46)40(41)48/h11-12,14-15,17-18,20-21,24,26,33,36-41,44-48H,3-10,13,16,19 ,22-23,25,27-32H2,1-2H3,(H,49,50)/b12-11-,15-14-,18-17-,21-20-,26-24-/t33-,36?,3 7-,38?,39?,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H ](O)C(O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |