In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AA1 |
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Common Name | PE(10:0/20:4(5Z,8Z,10E,14Z)(12Ke)) |
Systematic Name | 1-decanoyl-2-(12-Oxo-ETE)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(30:4(Ke)); PE(10:0/20:4(Ke)) |
Exact Mass | |
Formula | C35H60NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | JKNPKDAWZXLZGN-UBRMOMDHSA-N |
InChI | InChI=1S/C35H60NO9P/c1-3-5-7-9-13-18-22-26-34(38)42-30-33(31-44-46(40,41)43-29-2 8-36)45-35(39)27-23-19-15-12-11-14-17-21-25-32(37)24-20-16-10-8-6-4-2/h12,14-17, 20-21,25,33H,3-11,13,18-19,22-24,26-31,36H2,1-2H3,(H,40,41)/b15-12-,17-14-,20-16 -,25-21+/t33-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C=C\C(=O)C/C=C\CCCCC)=O)COC(CCCCCCCCC )=O |
MS Spectra | - |
Status | Active (generated by computational methods) |