In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069ABV |
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Common Name | PG(10:0/7:1(5E)(4OH,7Ke)) |
Systematic Name | 1-decanoyl-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(17:1(OH,Ke)); PG(10:0/7:1(OH,Ke)) |
Exact Mass | |
Formula | C23H41O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | LDQDGMRZFLTKSK-KORODVNUSA-N |
InChI | InChI=1S/C23H41O12P/c1-2-3-4-5-6-7-8-11-22(28)32-17-21(18-34-36(30,31)33-16-20(2 7)15-25)35-23(29)13-12-19(26)10-9-14-24/h9-10,14,19-21,25-27H,2-8,11-13,15-18H2, 1H3,(H,30,31)/b10-9+/t19?,20-,21+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |