In-Silico Structure database (LMISSD)
| |
LM ID | LMGP06019AD0 |
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Common Name | PI(11:0/21:0) |
Systematic Name | 1-undecanoyl-2-heneicosanoyl-sn-glycero-3-phosphoinositol |
Synonyms | PI(32:0); PI(11:0_21:0) |
Exact Mass | |
Formula | C41H79O13P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoinositols [GP06] |
Sub Class | Diacylglycerophosphoinositols [GP0601] |
PubChem Compound ID (CID) | - |
InChIKey | WCTRXHKQNUVXTR-NBURIUCMSA-N |
InChI | InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(4 3)53-33(31-51-34(42)29-27-25-23-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)3 6(44)38(46)40(41)48/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36?,37-,38?,39? ,40?,41-/m1/s1 |
SMILES | [C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O) COC(CCCCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |