In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069ABR |
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Common Name | PG(10:0/6:1(4E)(3Ke,6OH,6Ke)) |
Systematic Name | 1-decanoyl-2-(3,6-dioxo-4E-hexenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(16:1(OH,Ke2)); PG(10:0/6:1(OH,Ke2)) |
Exact Mass | |
Formula | C22H37O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | DICBANSIBVKKSO-VIBWXPCQSA-N |
InChI | InChI=1S/C22H37O13P/c1-2-3-4-5-6-7-8-9-21(28)32-15-19(16-34-36(30,31)33-14-18(25 )13-23)35-22(29)12-17(24)10-11-20(26)27/h10-11,18-19,23,25H,2-9,12-16H2,1H3,(H,2 6,27)(H,30,31)/b11-10+/t18-,19+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |