In-Silico Structure database (LMISSD)
| |
LM ID | LMGP09049AB6 |
---|---|
Common Name | LPIP3[3',4',5'](26:2(5Z,9E)/0:0) |
Systematic Name | 1-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate |
Synonyms | - |
Exact Mass | |
Formula | C35H68O21P4 |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositol trisphosphates [GP09] |
Sub Class | Monoacylglycerophosphoinositol trisphosphates [GP0904] |
PubChem Compound ID (CID) | - |
InChIKey | JSHIXILPQKLJCM-GMEXJALESA-N |
InChI | InChI=1S/C35H68O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-2 3-24-25-29(37)51-26-28(36)27-52-60(49,50)56-32-30(38)33(53-57(40,41)42)35(55-59( 46,47)48)34(31(32)39)54-58(43,44)45/h17-18,21-22,28,30-36,38-39H,2-16,19-20,23-2 7H2,1H3,(H,49,50)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/b18-17+,22-21-/t28-,30? ,31?,32-,33+,34?,35?/m1/s1 |
SMILES | [C@]([H])(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)C1 O)COC(CCC/C=CCC/C=C/CCCCCCCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |