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CHEBI:188125 - SM(d16:1/24:1)

ChEBI IDCHEBI:188125
ChEBI NameSM(d16:1/24:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H89N2O6P
Net Charge0
Average Mass785.189
Monoisotopic Mass784.64583
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCC
InChIInChI=1S/C45H89N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-17-15-13-11-9-7-2/h19-20,36,38,43-44,48H,6-18,21-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b20-19-,38-36+/t43-,44+/m0/s1
InChIKeyFOULCGVQZYQEQM-DNXGLLHMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
SM(d16:1/24:1) (CHEBI:188125) is a sphingomyelin (CHEBI:64583)
IUPAC Name 
[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]hexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMSP03010071LIPID MAPS
113381535ChemSpider