In-Silico Structure database (LMISSD)
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LM ID | LMGP20029AAB |
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Common Name | PE(10:0/11:2(6E,8E)(5OH,10OH,11Ke)) |
Systematic Name | 1-decanoyl-2-(5,10-Dihydroxy-11-oxo-6E,8E-undecadienoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(21:2(OH2,Ke)); PE(10:0/11:2(OH2,Ke)) |
Exact Mass | |
Formula | C26H46NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | YJJFBMUZRGOFNE-FKBRUXTBSA-N |
InChI | InChI=1S/C26H46NO11P/c1-2-3-4-5-6-7-8-15-25(31)35-20-24(21-37-39(33,34)36-18-17- 27)38-26(32)16-11-14-22(29)12-9-10-13-23(30)19-28/h9-10,12-13,19,22-24,29-30H,2- 8,11,14-18,20-21,27H2,1H3,(H,33,34)/b12-9+,13-10+/t22?,23?,24-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCC(O)/C=C/C=C/C(O)C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |