In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06029AA8 |
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Common Name | PI(O-14:0/19:0) |
Systematic Name | 1-tetradecyl-2-nonadecanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(O-33:0); PI(O-14:0/19:0) |
Exact Mass | |
Formula | C42H83O12P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | 1-alkyl,2-acylglycerophosphoinositols [GP0602] |
PubChem Compound ID (CID) | - |
InChIKey | JKCNAEQWZBLJIJ-RJEOKUNHSA-N |
InChI | InChI=1S/C42H83O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-36(43)53-3 5(33-51-32-30-28-26-24-22-16-14-12-10-8-6-4-2)34-52-55(49,50)54-42-40(47)38(45)3 7(44)39(46)41(42)48/h35,37-42,44-48H,3-34H2,1-2H3,(H,49,50)/t35-,37?,38-,39?,40? ,41?,42-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |