In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039ASQ |
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Common Name | PIP2[3',4'](P-20:1(9Z)/10:0) |
Systematic Name | 1-(1Z,9Z-eicosadienyl)-2-decanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](P-30:1); PIP2(P-20:1_10:0) |
Exact Mass | |
Formula | C39H75O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803] |
PubChem Compound ID (CID) | - |
InChIKey | CMJQNTUKRGFGAY-CMPDUBNYSA-N |
InChI | InChI=1S/C39H75O18P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-52- 30-32(54-33(40)28-26-24-22-10-8-6-4-2)31-53-60(50,51)57-37-34(41)35(42)38(55-58( 44,45)46)39(36(37)43)56-59(47,48)49/h16-17,27,29,32,34-39,41-43H,3-15,18-26,28,3 0-31H2,1-2H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/b17-16-,29-27-/t32-,34?,35?,36? ,37+,38?,39+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCC)=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\CCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |