In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039AAF |
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Common Name | PIP2[3',4'](P-16:0/14:1(9Z)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3,4- bisphosphate |
Synonyms | PIP2[3',4'](P-30:1); PIP2(P-16:0_14:1) |
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 | GTKPKXZPIKUXMZ-AVJWWUDCSA-N |
InChI | InChI=1S/C39H75O18P3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-52-30-32(54-33( 40)28-26-24-22-20-18-14-12-10-8-6-4-2)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/h10,12,27,29,32,34-39,41-43H,3-9,11,13-26,28 ,30-31H2,1-2H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/b12-10-,29-27-/t32-,34?,35?,3 6?,37+,38?,39+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCC)=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\CCCCCCCCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |