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CHEBI:169855 - o-O-sulfate rosiglitazone

ChEBI IDCHEBI:169855
ChEBI Nameo-O-sulfate rosiglitazone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19N3O7S2
Net Charge0
Average Mass453.498
Monoisotopic Mass453.06644
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncccc1OS(=O)(=O)O
InChIInChI=1S/C18H19N3O7S2/c1-21(16-14(3-2-8-19-16)28-30(24,25)26)9-10-27-13-6-4-12(5-7-13)11-15-17(22)20-18(23)29-15/h2-8,15H,9-11H2,1H3,(H,20,22,23)(H,24,25,26)
InChIKeyZVSPRKOUHTZIGH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
o-O-sulfate rosiglitazone (CHEBI:169855) is a sulfur molecular entity (CHEBI:26835)
IUPAC Name 
[2-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]pyridin-3-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0060858HMDB
35031803ChemSpider