In-Silico Structure database (LMISSD)
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LM ID | LMGP01029APH |
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Common Name | PC(O-18:1(11Z)/20:4(7E,10E,13E,16E)) |
Systematic Name | 1-(11Z-octadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(O-38:5); PC(O-18:1/20:4) |
Exact Mass | |
Formula | C46H84NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-alkyl,2-acylglycerophosphocholines [GP0102] |
PubChem Compound ID (CID) | - |
InChIKey | DXIOLOXADZQUDB-SDGBOEMJSA-N |
InChI | InChI=1S/C46H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48 )54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-1 7-15-13-11-9-7-2/h10,12,16-19,22,24,27,29,45H,6-9,11,13-15,20-21,23,25-26,28,30- 44H2,1-5H3/b12-10+,18-16+,19-17-,24-22+,29-27+/t45-/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)COC CCCCCCCCC/C=C\CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |