In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019AAF |
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Common Name | PIP3[3',4',5'](10:0/14:1(9Z)) |
Systematic Name | 1-decanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3,4,5- trisphosphate |
Synonyms | PIP3[3',4',5'](24:1); PIP3(10:0_14:1) |
Exact Mass | |
Formula | C33H64O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | VOTXKYOPCWAWRV-JFFRXVTJSA-N |
InChI | InChI=1S/C33H64O22P4/c1-3-5-7-9-11-12-13-14-16-18-20-22-27(35)51-25(23-49-26(34) 21-19-17-15-10-8-6-4-2)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44, 45)46)32(29(30)37)53-57(41,42)43/h9,11,25,28-33,36-37H,3-8,10,12-24H2,1-2H3,(H,4 7,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/b11-9-/t25-,28?,29?,30-,31+,32?,33? /m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O )(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |