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CHEBI:169243 - Docosanediol-1,14-disulfate

ChEBI IDCHEBI:169243
ChEBI NameDocosanediol-1,14-disulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H46O8S2
Net Charge0
Average Mass502.736
Monoisotopic Mass502.26341
SMILESCCCCCCCCC(CCCCCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O
InChIInChI=1S/C22H46O8S2/c1-2-3-4-5-13-16-19-22(30-32(26,27)28)20-17-14-11-9-7-6-8-10-12-15-18-21-29-31(23,24)25/h22H,2-21H2,1H3,(H,23,24,25)(H,26,27,28)
InChIKeyUUCGHXFCAGWVSX-UHFFFAOYSA-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)
Docosanediol-1,14-disulfate (CHEBI:169243) is a sulfuric ester (CHEBI:26819)
IUPAC Name 
22-sulooxydocosan-9-yl hydrogen sulate
Manual XrefsDatabases
LMFA00000016LIPID MAPS
24822092ChemSpider