In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AUX |
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Common Name | PC(O-20:0/36:0) |
Systematic Name | 1-eicosyl-2-hexatriacontanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-56:0); PC(O-20:0/36:0) |
Exact Mass | |
Formula | C64H130NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | MXGPGZOTRKUQNX-AFLCPGBUSA-N |
InChI | InChI=1S/C64H130NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-32-33-34-3 5-36-37-38-39-40-41-43-45-47-49-51-53-55-57-64(66)72-63(62-71-73(67,68)70-60-58- 65(3,4)5)61-69-59-56-54-52-50-48-46-44-42-25-23-21-19-17-15-13-11-9-7-2/h63H,6-6 2H2,1-5H3/t63-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O )COCCCCCCCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |