In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AKR |
---|---|
Common Name | PI(O-16:1(9Z)/20:4(5Z,8Z,10E,14Z)) |
Systematic Name | 1-(9Z-hexadecenyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(O-36:5); PI(O-16:1/20:4) |
Exact Mass | |
Formula | C45H79O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | WPKKKAKOOCUMKC-IBGJSOEBSA-N |
InChI | InChI=1S/C45H79O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-39(46)5 6-38(36-54-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)37-55-58(52,53)57-45-43(5 0)41(48)40(47)42(49)44(45)51/h11,13-14,16,19-22,26,28,38,40-45,47-51H,3-10,12,15 ,17-18,23-25,27,29-37H2,1-2H3,(H,52,53)/b13-11-,16-14-,20-19+,22-21-,28-26-/t38- ,40?,41-,42?,43?,44?,45-/m1/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C( O)C(O)C1O)COCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |