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CHEBI:231089 - SM(d18:2(4E,14Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

ChEBI IDCHEBI:231089
ChEBI NameSM(d18:2(4E,14Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H77N2O8P
Net Charge0
Average Mass781.069
Monoisotopic Mass780.54175
SMILESCCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC
InChIInChI=1S/C43H77N2O8P/c1-6-8-10-12-14-15-16-17-18-19-20-22-28-34-42(48)41(38-53-54(50,51)52-37-36-45(3,4)5)44-43(49)35-29-33-40(47)32-27-24-23-26-31-39(46)30-25-21-13-11-9-7-2/h10,12,21,23-28,31-32,34,39-42,46-48H,6-9,11,13-20,22,29-30,33,35-38H2,1-5H3,(H-,44,49,50,51)/b12-10-,24-23+,25-21-,31-26+,32-27-,34-28+/t39-,40-,41-,42+/m0/s1
InChIKeyGSFQTJDTOHMRIC-DQEBFNAGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:2(4E,14Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (CHEBI:231089) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R,4E,14Z)-2-[[(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]amino]-3-hydroxyoctadeca-4,14-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290574HMDB