In-Silico Structure database (LMISSD)
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LM ID | LMGP20059AAY |
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Common Name | PI(10:0/20:3(7E,10Z,14Z)(5Ep,9Ke){8,12}) |
Systematic Name | 1-decanoyl-2-(5,6-epoxycyclopentenone)-sn-glycero-3-phosphoinositol |
Synonyms | PI(30:3(Ep,Ke,ring)); PI(10:0/20:3(Ep,Ke,ring)) |
Exact Mass | |
Formula | C39H63O15P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | CLSMZIBKJYRLNL-XVTVYOPUSA-N |
InChI | InChI=1S/C39H63O15P/c1-3-5-7-9-11-13-15-19-32(41)50-24-27(25-51-55(48,49)54-39-3 7(46)35(44)34(43)36(45)38(39)47)52-33(42)20-16-18-30-31(53-30)23-28-26(21-22-29( 28)40)17-14-12-10-8-6-4-2/h12,14,21-23,26-27,30-31,34-39,43-47H,3-11,13,15-20,24 -25H2,1-2H3,(H,48,49)/b14-12-,28-23+/t26?,27-,30?,31?,34?,35-,36?,37?,38?,39-/m1 /s1 |
SMILES | [C@]([H])(OC(CCCC1OC1/C=C1/C(=O)C=CC/1C/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) |