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CHEBI:188192 - SM(d18:0/18:2)

ChEBI IDCHEBI:188192
ChEBI NameSM(d18:0/18:2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H81N2O6P
Net Charge0
Average Mass729.081
Monoisotopic Mass728.58322
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,39-40,44H,6-13,15,17-19,22-38H2,1-5H3,(H-,42,45,46,47)/b16-14-,21-20-/t39-,40+/m0/s1
InChIKeyLOHIJJRFCAEEGY-QPYJHBIRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
SM(d18:0/18:2) (CHEBI:188192) is a sphingomyelin (CHEBI:64583)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]octadecyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMSP03010049LIPID MAPS
113381518ChemSpider