In-Silico Structure database (LMISSD)
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LM ID | LMGP01039ABN |
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Common Name | PC(P-16:0/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-(1Z-hexadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-36:4); PC(P-16:0/20:4) |
Exact Mass | |
Formula | C44H80NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | JTVFATFAJNQBAN-XZCMUOQYSA-N |
InChI | InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46 )52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-1 3-11-9-7-2/h10,12,16,18,22-23,25,27,36,39,43H,6-9,11,13-15,17,19-21,24,26,28-35, 37-38,40-42H2,1-5H3/b12-10+,18-16+,23-22+,27-25+,39-36-/t43-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)CO/ C=C\CCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |