In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AXF |
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Common Name | PI(O-20:1(9Z)/13:0) |
Systematic Name | 1-(9Z-eicosenyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-33:1); PI(O-20:1/13:0) |
Exact Mass | |
Formula | C42H81O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | ZJAQXELOZPUNJB-YOWIEBFZSA-N |
InChI | InChI=1S/C42H81O12P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-51-3 3-35(53-36(43)31-29-27-25-23-14-12-10-8-6-4-2)34-52-55(49,50)54-42-40(47)38(45)3 7(44)39(46)41(42)48/h18-19,35,37-42,44-48H,3-17,20-34H2,1-2H3,(H,49,50)/b19-18-/ t35-,37?,38-,39?,40?,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCC CC/C=C\CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |