In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AAO |
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Common Name | PE(10:0/18:2(9Z,11E)(13OH[R])) |
Systematic Name | 1-decanoyl-2-(13R-HODE)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(28:2(OH)); PE(10:0/18:2(OH)) |
Exact Mass | |
Formula | C33H62NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | FJJJJDOONXPWLR-CWJTYXOTSA-N |
InChI | InChI=1S/C33H62NO9P/c1-3-5-7-8-12-16-20-24-32(36)40-28-31(29-42-44(38,39)41-27-2 6-34)43-33(37)25-21-17-14-11-9-10-13-15-19-23-30(35)22-18-6-4-2/h13,15,19,23,30- 31,35H,3-12,14,16-18,20-22,24-29,34H2,1-2H3,(H,38,39)/b15-13-,23-19+/t30-,31-/m1 /s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\C=C\[C@H](O)CCCCC)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |