In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019AAC |
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Common Name | PIP2[3',4'](10:0/12:0) |
Systematic Name | 1-decanoyl-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](22:0); PIP2(10:0_12:0) |
Exact Mass | |
Formula | C31H61O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | FXWLLWARJGHPDQ-BSVFXVAPSA-N |
InChI | InChI=1S/C31H61O19P3/c1-3-5-7-9-11-12-14-16-18-20-25(33)47-23(21-45-24(32)19-17- 15-13-10-8-6-4-2)22-46-53(43,44)50-29-26(34)27(35)30(48-51(37,38)39)31(28(29)36) 49-52(40,41)42/h23,26-31,34-36H,3-22H2,1-2H3,(H,43,44)(H2,37,38,39)(H2,40,41,42) /t23-,26?,27?,28?,29+,30?,31+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O )C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |