In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AAV |
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Common Name | PI(10:0/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b}) |
Systematic Name | 1-decanoyl-2-PGE2-sn-glycero-3-phosphoinositol |
Synonyms | PI(30:2(OH2,Ke,ring)); PI(10:0/20:2(OH2,Ke,ring)) |
Exact Mass | |
Formula | C39H67O16P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | DFNUOOVAPVYPDW-PJFCRULLSA-N |
InChI | InChI=1S/C39H67O16P/c1-3-5-7-8-9-10-15-19-32(43)52-24-27(25-53-56(50,51)55-39-37 (48)35(46)34(45)36(47)38(39)49)54-33(44)20-16-12-11-14-18-28-29(31(42)23-30(28)4 1)22-21-26(40)17-13-6-4-2/h11,14,21-22,26-29,31,34-40,42,45-49H,3-10,12-13,15-20 ,23-25H2,1-2H3,(H,50,51)/b14-11-,22-21+/t26-,27+,28+,29+,31+,34?,35+,36?,37?,38? ,39+/m0/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)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) |