In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AU3 |
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Common Name | PC(P-22:0/12:0) |
Systematic Name | 1-(1Z-docosenyl)-2-dodecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-34:0); PC(P-22:0/12:0) |
Exact Mass | |
Formula | C42H84NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | YPAMDBKTNDWTHJ-IIKIFWEUSA-N |
InChI | InChI=1S/C42H84NO7P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34 -37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-15-13-11-9 -7-2/h34,37,41H,6-33,35-36,38-40H2,1-5H3/b37-34-/t41-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |