In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AGL |
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Common Name | PC(O-16:0/24:0) |
Systematic Name | 1-hexadecyl-2-tetracosanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-40:0); PC(O-16:0/24:0) |
Exact Mass | |
Formula | C48H98NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | LYVVMCODUPZVSE-QZNUWAOFSA-N |
InChI | InChI=1S/C48H98NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37 -39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-2 1-19-17-15-13-11-9-7-2/h47H,6-46H2,1-5H3/t47-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCC CCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |