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CHEBI:230999 - SM(d18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

ChEBI IDCHEBI:230999
ChEBI NameSM(d18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H81N2O7P
Net Charge0
Average Mass793.124
Monoisotopic Mass792.57814
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C/C(O)CCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C45H81N2O7P/c1-6-8-10-12-14-16-18-20-21-22-24-25-27-29-31-33-35-42(48)37-38-45(50)46-43(41-54-55(51,52)53-40-39-47(3,4)5)44(49)36-34-32-30-28-26-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,24-25,29,31,33,35,42-44,48-49H,6-7,9,11-13,15,17-19,22-23,26-28,30,32,34,36-41H2,1-5H3,(H-,46,50,51,52)/b10-8-,16-14-,21-20-,25-24-,31-29-,35-33-/t42?,43-,44+/m0/s1
InChIKeyBSEVADLIMOFZIL-VHCNHZCSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (CHEBI:230999) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-[[(5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoyl]amino]octadecyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290490HMDB