In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08029AAF |
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Common Name | PIP2[3',4'](O-14:0/14:1(9Z)) |
Systematic Name | 1-tetradecyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](O-28:1); PIP2(O-14:0_14:1) |
Exact Mass | |
Formula | C37H73O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802] |
PubChem Compound ID (CID) | - |
InChIKey | BWDHBWKVIBGGLO-VWSZKIKPSA-N |
InChI | InChI=1S/C37H73O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-50-28-30(52-31(38)26- 24-22-20-18-16-14-12-10-8-6-4-2)29-51-58(48,49)55-35-32(39)33(40)36(53-56(42,43) 44)37(34(35)41)54-57(45,46)47/h10,12,30,32-37,39-41H,3-9,11,13-29H2,1-2H3,(H,48, 49)(H2,42,43,44)(H2,45,46,47)/b12-10-/t30-,32?,33?,34?,35+,36?,37+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O )(O)O)C(O)C1O)COCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |