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CHEBI:230889 - SM(d19:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

ChEBI IDCHEBI:230889
ChEBI NameSM(d19:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H79N2O9P
Net Charge0
Average Mass811.095
Monoisotopic Mass810.55232
SMILESCC/C=C\C[C@H](O)/C=C/C=C/C=C\C=C/[C@@H](O)[C@H](O)CCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCCC
InChIInChI=1S/C44H79N2O9P/c1-6-8-10-11-12-13-14-15-16-17-18-19-23-27-32-41(48)40(38-55-56(52,53)54-37-36-46(3,4)5)45-44(51)35-29-34-43(50)42(49)33-28-24-21-20-22-26-31-39(47)30-25-9-7-2/h9,20-22,24-28,31-33,39-43,47-50H,6-8,10-19,23,29-30,34-38H2,1-5H3,(H-,45,51,52,53)/b22-20+,24-21-,25-9-,31-26+,32-27+,33-28-/t39-,40-,41+,42+,43+/m0/s1
InChIKeyIRQZPYKIGFPBTL-AMAUYYDWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d19:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (CHEBI:230889) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(E,2S,3R)-3-hydroxy-2-[[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]amino]nonadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290695HMDB