In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039DDI |
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Common Name | PC(P-14:0/13:0) |
Systematic Name | 1-(1Z-tetradecenyl)-2-tridecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-27:0); PC(P-14:0/13:0) |
Exact Mass | |
Formula | C35H70NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | KBCKXTXHXFGBRE-CLCWMZMISA-N |
InChI | InChI=1S/C35H70NO7P/c1-6-8-10-12-14-16-18-19-21-23-25-27-30-40-32-34(33-42-44(38 ,39)41-31-29-36(3,4)5)43-35(37)28-26-24-22-20-17-15-13-11-9-7-2/h27,30,34H,6-26, 28-29,31-33H2,1-5H3/b30-27-/t34-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |