In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09019BTR |
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Common Name | PIP3[3',4',5'](18:2(2E,4E)/14:1(9Z)) |
Systematic Name | 1-(2E,4E-octadecadienoyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3, 4,5-trisphosphate |
Synonyms | PIP3[3',4',5'](32:3); PIP3(14:1_18:2) |
Exact Mass | |
Formula | C41H76O22P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Diacylglycerophosphoinositol trisphosphates [GP0901] |
PubChem Compound ID (CID) | - |
InChIKey | JGTSEHCVKMJCIU-RQPQEMMDSA-N |
InChI | InChI=1S/C41H76O22P4/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)57-31- 33(59-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60- 64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h10,12,23,25,27,29,33,3 6-41,44-45H,3-9,11,13-22,24,26,28,30-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50, 51)(H2,52,53,54)/b12-10-,25-23+,29-27+/t33-,36?,37?,38-,39+,40?,41?/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(/C=C/C=C/CCCCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |