In-Silico Structure database (LMISSD)
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LM ID | LMGP20029AAX |
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Common Name | PE(10:0/20:2(7E,14Z)(5Ep,9Ke,11OH){8,12}) |
Systematic Name | 1-decanoyl-2-(5,6-epoxy-isoPE2)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(30:2(Ep,Ke,OH,ring)); PE(10:0/20:2(Ep,Ke,OH,ring)) |
Exact Mass | |
Formula | C35H60NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | KTOJMMHFPBMABI-ZJWZDPNBSA-N |
InChI | InChI=1S/C35H60NO11P/c1-3-5-7-9-11-13-15-19-34(39)43-25-27(26-45-48(41,42)44-22- 21-36)46-35(40)20-16-18-32-33(47-32)23-29-28(30(37)24-31(29)38)17-14-12-10-8-6-4 -2/h12,14,23,27-28,30,32-33,37H,3-11,13,15-22,24-26,36H2,1-2H3,(H,41,42)/b14-12- ,29-23+/t27-,28?,30?,32?,33?/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCC1OC1/C=C1/C(=O)CC(O)C/1C/C=C\CCCCC)=O)COC(CCCCC CCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |