In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059ABS |
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Common Name | PI(10:0/6:1(4E)(6Ke)) |
Systematic Name | 1-decanoyl-2-(6-oxo-4E-hexenoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(16:1(Ke)); PI(10:0/6:1(Ke)) |
Exact Mass | |
Formula | C25H43O14P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | UGRDYAWYAPATSL-YXBLYTCPSA-N |
InChI | InChI=1S/C25H43O14P/c1-2-3-4-5-6-7-9-12-18(27)36-15-17(38-19(28)13-10-8-11-14-26 )16-37-40(34,35)39-25-23(32)21(30)20(29)22(31)24(25)33/h8,11,14,17,20-25,29-33H, 2-7,9-10,12-13,15-16H2,1H3,(H,34,35)/b11-8+/t17-,20?,21-,22?,23?,24?,25-/m1/s1 |
SMILES | [C@]([H])(OC(CC/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCC CCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |