In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01029AA8 |
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Common Name | PC(O-14:0/19:0) |
Systematic Name | 1-tetradecyl-2-nonadecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(O-33:0); PC(O-14:0/19:0) |
Exact Mass | |
Formula | C41H84NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | XHEWDIOALFBZDK-RRHRGVEJSA-N |
InChI | InChI=1S/C41H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-41(43)49 -40(39-48-50(44,45)47-37-35-42(3,4)5)38-46-36-33-31-29-27-25-19-17-15-13-11-9-7- 2/h40H,6-39H2,1-5H3/t40-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |