In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039AQG |
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Common Name | PIP2[3',4'](P-20:1(11Z)/11:0) |
Systematic Name | 1-(1Z,11Z-eicosadienyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](P-31:1); PIP2(P-20:1_11:0) |
Exact Mass | |
Formula | C40H77O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | ICSYDBQDJJMYRS-DTCVWDTJSA-N |
InChI | InChI=1S/C40H77O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-53- 31-33(55-34(41)29-27-25-23-12-10-8-6-4-2)32-54-61(51,52)58-38-35(42)36(43)39(56- 59(45,46)47)40(37(38)44)57-60(48,49)50/h15-16,28,30,33,35-40,42-44H,3-14,17-27,2 9,31-32H2,1-2H3,(H,51,52)(H2,45,46,47)(H2,48,49,50)/b16-15-,30-28-/t33-,35?,36?, 37?,38+,39?,40+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=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) |