In-Silico Structure database (LMISSD)
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LM ID | LMGP20069AAZ |
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Common Name | PG(10:0/20:4(5Z,7E,11Z,14Z)(9Ke)) |
Systematic Name | 1-decanoyl-2-(9-Oxo-ETE)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(30:4(Ke)); PG(10:0/20:4(Ke)) |
Exact Mass | |
Formula | C36H61O11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | BFSBYKNYKVQDRK-RBEUATSASA-N |
InChI | InChI=1S/C36H61O11P/c1-3-5-7-9-11-12-14-16-20-24-32(38)25-21-17-15-19-23-27-36(4 1)47-34(31-46-48(42,43)45-29-33(39)28-37)30-44-35(40)26-22-18-13-10-8-6-4-2/h11- 12,15-17,20-21,25,33-34,37,39H,3-10,13-14,18-19,22-24,26-31H2,1-2H3,(H,42,43)/b1 2-11-,17-15-,20-16-,25-21+/t33-,34+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C=C\C(=O)C/C=C\C/C=C\CCCCC)=O)COC(CCCCC CCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |