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CHEBI:169644 - SM(d18:2/25:0)

ChEBI IDCHEBI:169644
ChEBI NameSM(d18:2/25:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H95N2O6P
Net Charge0
Average Mass827.270
Monoisotopic Mass826.69278
SMILESCCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(52)49-46(45-56-57(53,54)55-44-43-50(3,4)5)47(51)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2/h11,13,39,41,46-47,51H,6-10,12,14-38,40,42-45H2,1-5H3,(H-,49,52,53,54)/b13-11-,41-39+/t46-,47+/m0/s1
InChIKeyPBROMOQAZGFDHQ-GPQOMLTASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
SM(d18:2/25:0) (CHEBI:169644) is a sphingomyelin (CHEBI:64583)
IUPAC Name 
[(2S,3R,4E,14Z)-3-hydroxy-2-(pentacosanoylamino)octadeca-4,14-dienyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
LMSP03010083LIPID MAPS