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CHEBI:230362 - SM(d17:1/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))

ChEBI IDCHEBI:230362
ChEBI NameSM(d17:1/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H77N2O7P
Net Charge0
Average Mass777.081
Monoisotopic Mass776.54684
SMILESCC/C=C\CC(O)/C=C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCC
InChIInChI=1S/C44H77N2O7P/c1-6-8-10-11-12-13-14-19-22-25-28-32-36-43(48)42(40-53-54(50,51)52-39-38-46(3,4)5)45-44(49)37-33-29-26-23-20-17-15-16-18-21-24-27-31-35-41(47)34-30-9-7-2/h9,16-18,20,24,26-27,29-32,35-36,41-43,47-48H,6-8,10-15,19,21-23,25,28,33-34,37-40H2,1-5H3,(H-,45,49,50,51)/b18-16-,20-17-,27-24+,29-26-,30-9-,35-31+,36-32+/t41?,42-,43+/m0/s1
InChIKeyQPSJLNQDEPSAFC-LDWZYWJCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
SM(d17:1/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) (CHEBI:230362) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(E,2S,3R)-3-hydroxy-2-[[(4Z,7Z,10Z,13E,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoyl]amino]heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
HMDB0290389HMDB