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CHEBI:230241 - PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))

ChEBI IDCHEBI:230241
ChEBI NamePC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80NO8P
Net Charge0
Average Mass806.119
Monoisotopic Mass805.56216
SMILESCC/C=C\C(O)C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C/CCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C46H80NO8P/c1-6-8-10-11-12-13-14-15-16-17-20-23-26-29-32-35-40-52-42-45(43-54-56(50,51)53-41-39-47(3,4)5)55-46(49)38-34-31-28-25-22-19-18-21-24-27-30-33-37-44(48)36-9-7-2/h9,13-14,18-19,24-25,27-28,30,33,35-36,40,44-45,48H,6-8,10-12,15-17,20-23,26,29,31-32,34,37-39,41-43H2,1-5H3/b14-13-,19-18-,27-24-,28-25-,33-30+,36-9-,40-35+/t44?,45-/m1/s1
InChIKeyVWTNLLOYCWJMJP-RDXYLUPMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PC(P-18:1(11Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) (CHEBI:230241) is a 1-(alk-1-enyl)-2-acyl-glycero-3-phosphocholine (CHEBI:78188)
IUPAC Name 
[(2R)-2-[(5Z,8Z,11Z,13E,17Z)-16-hydroxyicosa-5,8,11,13,17-pentaenoyl]oxy-3-[(1E,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0289695HMDB