In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AJL |
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Common Name | PC(P-18:1(11Z)/13:0) |
Systematic Name | 1-(1Z,11Z-octadecadienyl)-2-tridecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-31:1); PC(P-18:1/13:0) |
Exact Mass | |
Formula | C39H76NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | LHKVJHOEXPCMFW-SMIXBAGRSA-N |
InChI | InChI=1S/C39H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-34-44-36-38 (37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-17-15-13-11-9-7-2/h16, 18,31,34,38H,6-15,17,19-30,32-33,35-37H2,1-5H3/b18-16-,34-31-/t38-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CC CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |