In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039DDQ |
---|---|
Common Name | PI(P-14:0/17:0) |
Systematic Name | 1-(1Z-tetradecenyl)-2-heptadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-31:0); PI(P-14:0/17:0) |
Exact Mass | |
Formula | C40H77O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | KBDYZJJUIVGHMA-JXMHQXEASA-N |
InChI | InChI=1S/C40H77O12P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-34(41)51-33(31-4 9-30-28-26-24-22-20-16-14-12-10-8-6-4-2)32-50-53(47,48)52-40-38(45)36(43)35(42)3 7(44)39(40)46/h28,30,33,35-40,42-46H,3-27,29,31-32H2,1-2H3,(H,47,48)/b30-28-/t33 -,35?,36-,37?,38?,39?,40-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C =C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |