In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AAG |
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Common Name | PI(10:0/13:2(9E,11E)(13Ke)) |
Systematic Name | 1-decanoyl-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(23:2(Ke)); PI(10:0/13:2(Ke)) |
Exact Mass | |
Formula | C32H55O14P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | VPZHGZLZKVWPSP-IVXBRWOPSA-N |
InChI | InChI=1S/C32H55O14P/c1-2-3-4-5-10-13-16-19-25(34)43-22-24(45-26(35)20-17-14-11-8 -6-7-9-12-15-18-21-33)23-44-47(41,42)46-32-30(39)28(37)27(36)29(38)31(32)40/h9,1 2,15,18,21,24,27-32,36-40H,2-8,10-11,13-14,16-17,19-20,22-23H2,1H3,(H,41,42)/b12 -9+,18-15+/t24-,27?,28-,29?,30?,31?,32-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)C OC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |