In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AA2 |
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Common Name | PG(10:0/20:4(5Z,8Z,10E,14Z)(12OH[S])) |
Systematic Name | 1-decanoyl-2-(12S-HETE)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(30:4(OH)); PG(10:0/20:4(OH)) |
Exact Mass | |
Formula | C36H63O11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | XJBDKAHVQLYHFE-HNXHGESDSA-N |
InChI | InChI=1S/C36H63O11P/c1-3-5-7-9-13-18-22-26-35(40)44-30-34(31-46-48(42,43)45-29-3 3(39)28-37)47-36(41)27-23-19-15-12-11-14-17-21-25-32(38)24-20-16-10-8-6-4-2/h12, 14-17,20-21,25,32-34,37-39H,3-11,13,18-19,22-24,26-31H2,1-2H3,(H,42,43)/b15-12-, 17-14-,20-16-,25-21+/t32-,33-,34+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC)=O)COC(C CCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |