In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039ASY |
---|---|
Common Name | PC(P-20:1(9Z)/16:0) |
Systematic Name | 1-(1Z,9Z-eicosadienyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-36:1); PC(P-20:1/16:0) |
Exact Mass | |
Formula | C44H86NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | PCUHAWJQXXSHQO-XUZFHQPFSA-N |
InChI | InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-39-49 -41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-19-17-15-1 3-11-9-7-2/h22-23,36,39,43H,6-21,24-35,37-38,40-42H2,1-5H3/b23-22-,39-36-/t43-/m 1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\C CCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |