In-Silico Structure database (LMISSD)
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LM ID | LMGP08049AD5 |
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Common Name | LPIP2[3',5'](22:5(4Z,7Z,10Z,13Z,16Z)/0:0) |
Systematic Name | 1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphoinositol-3,5- bisphosphate |
Synonyms | - |
Exact Mass | |
Formula | C31H53O18P3 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol bisphosphates [GP08] |
Sub Class | Monoacylglycerophosphoinositol bisphosphates [GP0804] |
PubChem Compound ID (CID) | - |
InChIKey | AEUDVNOAVUJYJY-KVYWIPBYSA-N |
InChI | InChI=1S/C31H53O18P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(3 3)45-22-24(32)23-46-52(43,44)49-31-27(35)29(47-50(37,38)39)26(34)30(28(31)36)48- 51(40,41)42/h6-7,9-10,12-13,15-16,18-19,24,26-32,34-36H,2-5,8,11,14,17,20-23H2,1 H3,(H,43,44)(H2,37,38,39)(H2,40,41,42)/b7-6-,10-9-,13-12-,16-15-,19-18-/t24-,26? ,27?,28?,29-,30?,31-/m1/s1 |
SMILES | [C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CC/ C=CC/C=CC/C=CC/C=CC/C=CCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |