In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AB4 |
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Common Name | PI(10:0/9:0(9OH,9Ke)) |
Systematic Name | 1-decanoyl-2-azeloyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(19:0(OH,Ke)); PI(10:0/9:0(OH,Ke)) |
Exact Mass | |
Formula | C28H51O15P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | ACWWLYNHEKNDIZ-AZTSRQFXSA-N |
InChI | InChI=1S/C28H51O15P/c1-2-3-4-5-6-9-12-15-21(31)40-17-19(42-22(32)16-13-10-7-8-11 -14-20(29)30)18-41-44(38,39)43-28-26(36)24(34)23(33)25(35)27(28)37/h19,23-28,33- 37H,2-18H2,1H3,(H,29,30)(H,38,39)/t19-,23?,24-,25?,26?,27?,28-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCC(=O)O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCC CCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |