In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AXK |
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Common Name | PC(O-20:1(9Z)/16:0) |
Systematic Name | 1-(9Z-eicosenyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-36:1); PC(O-20:1/16:0) |
Exact Mass | |
Formula | C44H88NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | RWUGKHSYQBKLCX-WWRUAWPISA-N |
InChI | InChI=1S/C44H88NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-39-49 -41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-19-17-15-1 3-11-9-7-2/h22-23,43H,6-21,24-42H2,1-5H3/b23-22-/t43-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCC CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |