In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029ABG |
---|---|
Common Name | PI(O-14:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-tetradecyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-34:3); PI(O-14:0/20:3) |
Exact Mass | |
Formula | C43H79O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | HUAZAVJGNGBVAY-UFWLXIOXSA-N |
InChI | InChI=1S/C43H79O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-37(44)5 4-36(34-52-33-31-29-27-25-23-16-14-12-10-8-6-4-2)35-53-56(50,51)55-43-41(48)39(4 6)38(45)40(47)42(43)49/h17-18,20-21,24,26,36,38-43,45-49H,3-16,19,22-23,25,27-35 H2,1-2H3,(H,50,51)/b18-17-,21-20-,26-24-/t36-,38?,39-,40?,41?,42?,43-/m1/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O) C(O)C1O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |