In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AAO |
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Common Name | PI(10:0/18:2(9Z,11E)(13OH[R])) |
Systematic Name | 1-decanoyl-2-(13R-HODE)-sn-glycero-3-phosphoinositol |
Synonyms | PI(28:2(OH)); PI(10:0/18:2(OH)) |
Exact Mass | |
Formula | C37H67O14P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | BJYXXCLXPQFNLU-WCEHCQKJSA-N |
InChI | InChI=1S/C37H67O14P/c1-3-5-7-8-12-16-20-24-30(39)48-26-29(27-49-52(46,47)51-37-3 5(44)33(42)32(41)34(43)36(37)45)50-31(40)25-21-17-14-11-9-10-13-15-19-23-28(38)2 2-18-6-4-2/h13,15,19,23,28-29,32-38,41-45H,3-12,14,16-18,20-22,24-27H2,1-2H3,(H, 46,47)/b15-13-,23-19+/t28-,29-,32?,33-,34?,35?,36?,37-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCC/C=C\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) |