In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AAJ |
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Common Name | PG(10:0/13:3(5Z,8E,11E)(10OH,13Ke)) |
Systematic Name | 1-decanoyl-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3- phospho-(1'-sn-glycerol) |
Synonyms | PG(23:3(OH,Ke)); PG(10:0/13:3(OH,Ke)) |
Exact Mass | |
Formula | C29H49O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | RKUNQKQGTOHZLL-CQYDXXGUSA-N |
InChI | InChI=1S/C29H49O12P/c1-2-3-4-5-6-10-13-18-28(34)38-23-27(24-40-42(36,37)39-22-26 (33)21-31)41-29(35)19-14-11-8-7-9-12-16-25(32)17-15-20-30/h7-8,12,15-17,20,25-27 ,31-33H,2-6,9-11,13-14,18-19,21-24H2,1H3,(H,36,37)/b8-7-,16-12+,17-15+/t25?,26-, 27+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O) (=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |