In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019ABH |
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Common Name | PIP2[3',4'](10:0/20:3(8Z,11Z,14Z)) |
Systematic Name | 1-decanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](30:3); PIP2(10:0_20:3) |
Exact Mass | |
Formula | C39H71O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | JFLFEURUGFIMTN-ULQZISKVSA-N |
InChI | InChI=1S/C39H71O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41) 55-31(29-53-32(40)27-25-23-21-10-8-6-4-2)30-54-61(51,52)58-37-34(42)35(43)38(56- 59(45,46)47)39(36(37)44)57-60(48,49)50/h11-12,14-15,17-18,31,34-39,42-44H,3-10,1 3,16,19-30H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b12-11-,15-14-,18-17-/t31 -,34?,35?,36?,37+,38?,39+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)( =O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |