In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029ANX |
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Common Name | PC(O-18:0/33:0) |
Systematic Name | 1-octadecyl-2-tritriacontanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-51:0); PC(O-18:0/33:0) |
Exact Mass | |
Formula | C59H120NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | FFEBIIHUCLMUGQ-QPUWJJAWSA-N |
InChI | InChI=1S/C59H120NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-3 4-35-36-37-38-40-42-44-46-48-50-52-59(61)67-58(57-66-68(62,63)65-55-53-60(3,4)5) 56-64-54-51-49-47-45-43-41-39-23-21-19-17-15-13-11-9-7-2/h58H,6-57H2,1-5H3/t58-/ m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO CCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |