In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039AEY |
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Common Name | PC(P-16:1(9Z)/12:0) |
Systematic Name | 1-(1Z,9Z-hexadecadienyl)-2-dodecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-28:1); PC(P-16:1/12:0) |
Exact Mass | |
Formula | C36H70NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | KIVKYSBICCFAQM-DFZKBEICSA-N |
InChI | InChI=1S/C36H70NO7P/c1-6-8-10-12-14-16-17-18-19-20-22-24-26-28-31-41-33-35(34-43 -45(39,40)42-32-30-37(3,4)5)44-36(38)29-27-25-23-21-15-13-11-9-7-2/h16-17,28,31, 35H,6-15,18-27,29-30,32-34H2,1-5H3/b17-16-,31-28-/t35-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCC C |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |