In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AB1 |
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Common Name | PG(10:0/8:1(6E)(5OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(18:1(OH,Ke)); PG(10:0/8:1(OH,Ke)) |
Exact Mass | |
Formula | C24H43O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | KNXSZUUAFOPZLU-VZDTZIPJSA-N |
InChI | InChI=1S/C24H43O12P/c1-2-3-4-5-6-7-8-13-23(29)33-18-22(19-35-37(31,32)34-17-21(2 8)16-26)36-24(30)14-9-11-20(27)12-10-15-25/h10,12,15,20-22,26-28H,2-9,11,13-14,1 6-19H2,1H3,(H,31,32)/b12-10+/t20?,21-,22+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |