In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AJ6 |
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Common Name | PI(14:0/18:2(2E,4E)) |
Systematic Name | 1-tetradecanoyl-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(32:2); PI(14:0_18:2) |
Exact Mass | |
Formula | C41H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | TXFCBYPNBPOABP-VLMPITFGSA-N |
InChI | InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)53-33(3 1-51-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)3 6(44)38(46)40(41)48/h24,26,28,30,33,36-41,44-48H,3-23,25,27,29,31-32H2,1-2H3,(H, 49,50)/b26-24+,30-28+/t33-,36?,37-,38?,39?,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1 O)COC(CCCCCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |