In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AB5 |
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Common Name | PG(10:0/9:2(5E,7E)(4Ke,9Ke)) |
Systematic Name | 1-decanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(19:2(Ke2)); PG(10:0/9:2(Ke2)) |
Exact Mass | |
Formula | C25H41O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | DCAIXHOTOSJXRZ-RCSCJJKKSA-N |
InChI | InChI=1S/C25H41O12P/c1-2-3-4-5-6-7-10-13-24(30)34-19-23(20-36-38(32,33)35-18-22( 29)17-27)37-25(31)15-14-21(28)12-9-8-11-16-26/h8-9,11-12,16,22-23,27,29H,2-7,10, 13-15,17-20H2,1H3,(H,32,33)/b11-8+,12-9+/t22-,23+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |