In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08029AA3 |
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Common Name | PIP2[3',4'](O-14:0/18:2(9Z,12Z)) |
Systematic Name | 1-tetradecyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](O-32:2); PIP2(O-14:0_18:2) |
Exact Mass | |
Formula | C41H79O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802] |
PubChem Compound ID (CID) | - |
InChIKey | VLYSEDTVPQFAQE-UMHAUUJDSA-N |
InChI | InChI=1S/C41H79O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(42)56-34( 32-54-31-29-27-25-23-21-16-14-12-10-8-6-4-2)33-55-62(52,53)59-39-36(43)37(44)40( 57-60(46,47)48)41(38(39)45)58-61(49,50)51/h11,13,17-18,34,36-41,43-45H,3-10,12,1 4-16,19-33H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b13-11-,18-17-/t34-,36?,3 7?,38?,39+,40?,41+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/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)COCCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |