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CHEBI:231012 - SM(d18:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

ChEBI IDCHEBI:231012
ChEBI NameSM(d18:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79N2O8P
Net Charge0
Average Mass807.107
Monoisotopic Mass806.55740
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)/C=C\CCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C45H79N2O8P/c1-6-8-10-11-12-13-14-15-16-17-21-24-30-36-44(50)43(40-55-56(52,53)54-39-38-47(3,4)5)46-45(51)37-31-25-29-35-42(49)34-28-23-20-18-19-22-27-33-41(48)32-26-9-7-2/h9,19-20,22-23,26-30,33-36,41-44,48-50H,6-8,10-18,21,24-25,31-32,37-40H2,1-5H3,(H-,46,51,52,53)/b22-19-,23-20-,26-9-,33-27+,34-28+,35-29-,36-30+/t41-,42-,43-,44+/m0/s1
InChIKeyKKWKIYPNSWEREE-HRSCZNOHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (CHEBI:231012) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(E,2S,3R)-2-[[(5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]amino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290538HMDB