In-Silico Structure database (LMISSD)
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LM ID | LMGP20049AA1 |
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Common Name | PS(10:0/20:4(5Z,8Z,10E,14Z)(12Ke)) |
Systematic Name | 1-decanoyl-2-(12-Oxo-ETE)-sn-glycero-3-phosphoserine |
Synonyms | PS(30:4(Ke)); PS(10:0/20:4(Ke)) |
Exact Mass | |
Formula | C36H60NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | SPHCXHBSQJNHFL-CTUGSHRPSA-N |
InChI | InChI=1S/C36H60NO11P/c1-3-5-7-9-13-18-22-26-34(39)45-28-32(29-46-49(43,44)47-30- 33(37)36(41)42)48-35(40)27-23-19-15-12-11-14-17-21-25-31(38)24-20-16-10-8-6-4-2/ h12,14-17,20-21,25,32-33H,3-11,13,18-19,22-24,26-30,37H2,1-2H3,(H,41,42)(H,43,44 )/b15-12-,17-14-,20-16-,25-21+/t32-,33+/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\C(=O)C/C=C\CCCCC)=O)CO C(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |