In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019KZN |
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Common Name | PIP2[4',5'](11:0/17:1(9Z)) |
Systematic Name | 1-undecanoyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate |
Synonyms | PIP2[4',5'](28:1); PIP2(11:0_17:1) |
Exact Mass | |
Formula | C37H71O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | DBIQDRQCDFRZQR-YMPVMSFMSA-N |
InChI | InChI=1S/C37H71O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-31(39)53-29(27- 51-30(38)25-23-21-19-12-10-8-6-4-2)28-52-59(49,50)56-35-32(40)33(41)36(54-57(43, 44)45)37(34(35)42)55-58(46,47)48/h14-15,29,32-37,40-42H,3-13,16-28H2,1-2H3,(H,49 ,50)(H2,43,44,45)(H2,46,47,48)/b15-14-/t29-,32?,33+,34?,35-,36?,37?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O) C(OP(=O)(O)O)C1O)COC(CCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |