In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019C1G |
---|---|
Common Name | PI(20:3(8Z,11Z,14Z)/11:0) |
Systematic Name | 1-(8Z,11Z,14Z-eicosatrienoyl)-2-undecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(31:3); PI(11:0_20:3) |
Exact Mass | |
Formula | C40H71O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | AGQBNDQMTYUTRT-ATWHRZAJSA-N |
InChI | InChI=1S/C40H71O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-24-26-28-33(41)5 0-30-32(52-34(42)29-27-25-22-12-10-8-6-4-2)31-51-54(48,49)53-40-38(46)36(44)35(4 3)37(45)39(40)47/h11,13,15-16,18-19,32,35-40,43-47H,3-10,12,14,17,20-31H2,1-2H3, (H,48,49)/b13-11-,16-15-,19-18-/t32-,35?,36-,37?,38?,39?,40-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCC /C=C\C/C=C\C/C=C\CCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |