In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039ALU |
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Common Name | PIP2[3',4'](P-18:1(9Z)/11:0) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](P-29:1); PIP2(P-18:1_11:0) |
Exact Mass | |
Formula | C38H73O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | CJDBLYAUHOGIGL-KPJKKCJGSA-N |
InChI | InChI=1S/C38H73O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-51-29-31( 53-32(39)27-25-23-21-12-10-8-6-4-2)30-52-59(49,50)56-36-33(40)34(41)37(54-57(43, 44)45)38(35(36)42)55-58(46,47)48/h15-16,26,28,31,33-38,40-42H,3-14,17-25,27,29-3 0H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b16-15-,28-26-/t31-,33?,34?,35?,36 +,37?,38+/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\CCCCCC/C=C\CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |