In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AAC |
---|---|
Common Name | PE(10:0/12:0(9Ke,12Ke)) |
Systematic Name | 1-decanoyl-2-(9,12-dioxodecanoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(22:0(Ke2)); PE(10:0/12:0(Ke2)) |
Exact Mass | |
Formula | C27H50NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | QGUHKMHCHWDIAK-RUZDIDTESA-N |
InChI | InChI=1S/C27H50NO10P/c1-2-3-4-5-6-9-12-17-26(31)35-22-25(23-37-39(33,34)36-21-19 -28)38-27(32)18-13-10-7-8-11-15-24(30)16-14-20-29/h20,25H,2-19,21-23,28H2,1H3,(H ,33,34)/t25-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCC(=O)CCC=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |