In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019K3Z |
---|---|
Common Name | PIP2[4',5'](13:0/12:0) |
Systematic Name | 1-tridecanoyl-2-dodecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate |
Synonyms | PIP2[4',5'](25:0); PIP2(12:0_13:0) |
Exact Mass | |
Formula | C34H67O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | NHEXIIYEFJCCJU-RUBCSVIJSA-N |
InChI | InChI=1S/C34H67O19P3/c1-3-5-7-9-11-13-15-16-18-20-22-27(35)48-24-26(50-28(36)23- 21-19-17-14-12-10-8-6-4-2)25-49-56(46,47)53-32-29(37)30(38)33(51-54(40,41)42)34( 31(32)39)52-55(43,44)45/h26,29-34,37-39H,3-25H2,1-2H3,(H,46,47)(H2,40,41,42)(H2, 43,44,45)/t26-,29?,30+,31?,32-,33?,34?/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O) (O)O)C1O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |