In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039DDJ |
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Common Name | PC(P-14:0/14:0) |
Systematic Name | 1-(1Z-tetradecenyl)-2-tetradecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-28:0); PC(P-14:0/14:0) |
Exact Mass | |
Formula | C36H72NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | JDUILDCLNCFMLA-HWZZGRHZSA-N |
InChI | InChI=1S/C36H72NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-31-41-33-35(34-43-45(39 ,40)42-32-30-37(3,4)5)44-36(38)29-27-25-23-21-19-17-15-13-11-9-7-2/h28,31,35H,6- 27,29-30,32-34H2,1-5H3/b31-28-/t35-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |