In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019A80 |
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Common Name | PI(18:1(11E)/14:1(9Z)) |
Systematic Name | 1-(11E-octadecenoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(32:2); PI(14:1_18:1) |
Exact Mass | |
Formula | C41H75O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | PAJCUYPVVRPOQA-YEJHXRISSA-N |
InChI | InChI=1S/C41H75O13P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)51-31-3 3(53-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)3 6(44)38(46)40(41)48/h10,12-13,15,33,36-41,44-48H,3-9,11,14,16-32H2,1-2H3,(H,49,5 0)/b12-10-,15-13+/t33-,36?,37-,38?,39?,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC( CCCCCCCCC/C=C/CCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |