In-Silico Structure database (LMISSD)
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LM ID | LMGP01029AX9 |
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Common Name | PC(O-20:1(9Z)/18:4(9E,11E,13E,15E)) |
Systematic Name | 1-(9Z-eicosenyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(O-38:5); PC(O-20:1/18:4) |
Exact Mass | |
Formula | C46H84NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | FNODMJCQPPZJCS-ZWPBMXSQSA-N |
InChI | InChI=1S/C46H84NO7P/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/h9,11,13,15,17,19,21,23-25,45H,6-8,10,12,14,16,18,20,22,26-44H2 ,1-5H3/b11-9+,15-13+,19-17+,24-23-,25-21+/t45-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COCCCCCC CC/C=C\CCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |