In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06039DEQ |
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Common Name | PI(P-14:0/20:4(5Z,8Z,11Z,14Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3- phosphoinositol |
Synonyms | PI(P-34:4); PI(P-14:0/20:4) |
Exact Mass | |
Formula | C43H75O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoinositols [GP0603] |
PubChem Compound ID (CID) | - |
InChIKey | XSXPOVULLMFYTC-RYKBCHRTSA-N |
InChI | InChI=1S/C43H75O12P/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/h11,13,17-18,20-21,24,26,31,33,36,38-43,45-49H,3-10,12,14 -16,19,22-23,25,27-30,32,34-35H2,1-2H3,(H,50,51)/b13-11-,18-17-,21-20-,26-24-,33 -31-/t36-,38?,39-,40?,41?,42?,43-/m1/s1 |
SMILES | [C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=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) |