In-Silico Structure database (LMISSD)
| |
LM ID | LMGP08019AAK |
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Common Name | PIP2[3',4'](10:0/16:1(9Z)) |
Systematic Name | 1-decanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate |
Synonyms | PIP2[3',4'](26:1); PIP2(10:0_16:1) |
Exact Mass | |
Formula | C35H67O19P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Diacylglycerophosphoinositol bisphosphates [GP0801] |
PubChem Compound ID (CID) | - |
InChIKey | QCMPNMAEYCOHBE-HSYHCVJRSA-N |
InChI | InChI=1S/C35H67O19P3/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(37)51-27(25-49- 28(36)23-21-19-17-10-8-6-4-2)26-50-57(47,48)54-33-30(38)31(39)34(52-55(41,42)43) 35(32(33)40)53-56(44,45)46/h12-13,27,30-35,38-40H,3-11,14-26H2,1-2H3,(H,47,48)(H 2,41,42,43)(H2,44,45,46)/b13-12-/t27-,30?,31?,32?,33+,34?,35+/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=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) |