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CHEBI:231084 - SM(d18:1/20:3(8Z,11Z,14Z)-2OH(5,6))

ChEBI IDCHEBI:231084
ChEBI NameSM(d18:1/20:3(8Z,11Z,14Z)-2OH(5,6))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81N2O8P
Net Charge0
Average Mass785.101
Monoisotopic Mass784.57305
SMILESCCCCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C43H81N2O8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-32-40(46)39(38-53-54(50,51)52-37-36-45(3,4)5)44-43(49)35-31-34-42(48)41(47)33-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,28-30,32,39-42,46-48H,6-14,16,18-20,22-23,25-27,31,33-38H2,1-5H3,(H-,44,49,50,51)/b17-15-,24-21-,30-28-,32-29+/t39-,40+,41?,42?/m0/s1
InChIKeyIZFSBUJSNDJIBB-KSISFRHMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:1/20:3(8Z,11Z,14Z)-2OH(5,6)) (CHEBI:231084) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(E,2S,3R)-2-[[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]amino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290525HMDB