In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039DDI |
---|---|
Common Name | PI(P-14:0/13:0) |
Systematic Name | 1-(1Z-tetradecenyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(P-27:0); PI(P-14:0/13:0) |
Exact Mass | |
Formula | C36H69O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | DVVRFVJGJHCAOS-ADZQLVRZSA-N |
InChI | InChI=1S/C36H69O12P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-45-27-29(47-30(37)25-2 3-21-19-17-14-12-10-8-6-4-2)28-46-49(43,44)48-36-34(41)32(39)31(38)33(40)35(36)4 2/h24,26,29,31-36,38-42H,3-23,25,27-28H2,1-2H3,(H,43,44)/b26-24-/t29-,31?,32-,33 ?,34?,35?,36-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO/C=C\C CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |