In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039AQH |
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Common Name | PIP2[3',4'](P-20:1(11Z)/12:0) |
Systematic Name | 1-(1Z,11Z-eicosadienyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](P-32:1); PIP2(P-20:1_12:0) |
Exact Mass | |
Formula | C41H79O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | ACBCGMBQTCHFLM-ZVUIIKGQSA-N |
InChI | InChI=1S/C41H79O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-54- 32-34(56-35(42)30-28-26-24-22-12-10-8-6-4-2)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/h15-16,29,31,34,36-41,43-45H,3-14,17-2 8,30,32-33H2,1-2H3,(H,52,53)(H2,46,47,48)(H2,49,50,51)/b16-15-,31-29-/t34-,36?,3 7?,38?,39+,40?,41+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O )C(O)C1O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |