In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20059AAU |
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Common Name | PI(10:0/2:0) |
Systematic Name | 1-decanoyl-2-acetyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(12:0); PI(10:0/2:0) |
Exact Mass | |
Formula | C21H39O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoinositols [GP2005] |
PubChem Compound ID (CID) | - |
InChIKey | VYOLJMBUMOWCJN-KVXKCFFCSA-N |
InChI | InChI=1S/C21H39O13P/c1-3-4-5-6-7-8-9-10-15(23)31-11-14(33-13(2)22)12-32-35(29,30 )34-21-19(27)17(25)16(24)18(26)20(21)28/h14,16-21,24-28H,3-12H2,1-2H3,(H,29,30)/ t14-,16?,17-,18?,19?,20?,21-/m1/s1 |
SMILES | [C@]([H])(OC(C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |