In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029A4D |
---|---|
Common Name | PC(O-22:0/14:0) |
Systematic Name | 1-docosyl-2-tetradecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-36:0); PC(O-22:0/14:0) |
Exact Mass | |
Formula | C44H90NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | QVJQAPQGKBPQDK-VZUYHUTRSA-N |
InChI | InChI=1S/C44H90NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36 -39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-17-15-1 3-11-9-7-2/h43H,6-42H2,1-5H3/t43-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCC CCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |