In-Silico Structure database (LMISSD)
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LM ID | LMGP01039ARB |
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Common Name | PC(P-20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) |
Systematic Name | 1-(1Z,11Z-eicosadienyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(P-38:5); PC(P-20:1/18:4) |
Exact Mass | |
Formula | C46H82NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | NCEMEQVQXOAWDF-BWHPIYRCSA-N |
InChI | InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51 -43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-1 7-15-13-11-9-7-2/h9,11,15,17,20-22,25,29,31,38,41,45H,6-8,10,12-14,16,18-19,23-2 4,26-28,30,32-37,39-40,42-44H2,1-5H3/b11-9-,17-15-,22-20-,25-21-,31-29-,41-38-/t 45-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C= C\CCCCCCCC/C=C\CCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |