In-Silico Structure database (LMISSD)
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LM ID | LMGP20059AAZ |
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Common Name | PI(10:0/20:4(5Z,7E,11Z,14Z)(9Ke)) |
Systematic Name | 1-decanoyl-2-(9-Oxo-ETE)-sn-glycero-3-phosphoinositol |
Synonyms | PI(30:4(Ke)); PI(10:0/20:4(Ke)) |
Exact Mass | |
Formula | C39H65O14P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | UXHSDXGNATUDFV-UPHJAILFSA-N |
InChI | InChI=1S/C39H65O14P/c1-3-5-7-9-11-12-14-16-20-24-30(40)25-21-17-15-19-23-27-33(4 2)52-31(28-50-32(41)26-22-18-13-10-8-6-4-2)29-51-54(48,49)53-39-37(46)35(44)34(4 3)36(45)38(39)47/h11-12,15-17,20-21,25,31,34-39,43-47H,3-10,13-14,18-19,22-24,26 -29H2,1-2H3,(H,48,49)/b12-11-,17-15-,20-16-,25-21+/t31-,34?,35-,36?,37?,38?,39-/ m1/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C=C\C(=O)C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H]( O)C(O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |