In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08039BDJ |
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Common Name | PIP2[3',5'](P-18:1(9Z)/12:0) |
Systematic Name | 1-(1Z,9Z-octadecadienyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,5- bisphosphate |
Synonyms | PIP2[3',5'](P-30:1); PIP2(P-18:1_12:0) |
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 | WHUDCTLGFVUAPN-FGWVOFRVSA-N |
InChI | InChI=1S/C39H75O18P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-52-30-32( 54-33(40)28-26-24-22-20-12-10-8-6-4-2)31-53-60(50,51)57-39-35(42)37(55-58(44,45) 46)34(41)38(36(39)43)56-59(47,48)49/h15-16,27,29,32,34-39,41-43H,3-14,17-26,28,3 0-31H2,1-2H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/b16-15-,29-27-/t32-,34?,35?,36? ,37-,38?,39-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O) (O)O)C1O)CO/C=C\CCCCCC/C=C\CCCCCCCC |
MS Spectra | - |
Status | Active (generated by computational methods) |