In-Silico Structure database (LMISSD)
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LM ID | LMGP20049AAX |
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Common Name | PS(10:0/20:2(7E,14Z)(5Ep,9Ke,11OH){8,12}) |
Systematic Name | 1-decanoyl-2-(5,6-epoxy-isoPE2)-sn-glycero-3-phosphoserine |
Synonyms | PS(30:2(Ep,Ke,OH,ring)); PS(10:0/20:2(Ep,Ke,OH,ring)) |
Exact Mass | |
Formula | C36H60NO13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | XHTCTDUCDYQTKD-RSUNDNQESA-N |
InChI | InChI=1S/C36H60NO13P/c1-3-5-7-9-11-13-15-19-34(40)46-23-26(24-47-51(44,45)48-25- 29(37)36(42)43)49-35(41)20-16-18-32-33(50-32)21-28-27(30(38)22-31(28)39)17-14-12 -10-8-6-4-2/h12,14,21,26-27,29-30,32-33,38H,3-11,13,15-20,22-25,37H2,1-2H3,(H,42 ,43)(H,44,45)/b14-12-,28-21+/t26-,27?,29+,30?,32?,33?/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC1OC1/C=C1/C(=O)CC(O)C/1C/C=C\CCCCC)= O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |