In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069ABU |
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Common Name | PG(10:0/7:1(5E)(4Ke,7OH,7Ke)) |
Systematic Name | 1-decanoyl-2-(4-keto-6-carboxy-5E-hexenoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(17:1(OH,Ke2)); PG(10:0/7:1(OH,Ke2)) |
Exact Mass | |
Formula | C23H39O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | GBNFRYQGIWFANC-QUJGQYFQSA-N |
InChI | InChI=1S/C23H39O13P/c1-2-3-4-5-6-7-8-9-22(29)33-16-20(17-35-37(31,32)34-15-19(26 )14-24)36-23(30)13-11-18(25)10-12-21(27)28/h10,12,19-20,24,26H,2-9,11,13-17H2,1H 3,(H,27,28)(H,31,32)/b12-10+/t19-,20+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |