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CHEBI:176456 - Ascorbic acid 3-sulfate

ChEBI IDCHEBI:176456
ChEBI NameAscorbic acid 3-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H8O9S
Net Charge0
Average Mass256.188
Monoisotopic Mass255.98890
SMILES[H][C@]1([C@@H](O)CO)OC(=O)C(O)=C1OS(=O)(=O)O
InChIInChI=1S/C6H8O9S/c7-1-2(8)4-5(15-16(11,12)13)3(9)6(10)14-4/h2,4,7-9H,1H2,(H,11,12,13)/t2-,4+/m0/s1
InChIKeyFBFZPSQPKNIVMT-ZAFYKAAXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
Ascorbic acid 3-sulfate (CHEBI:176456) is a butenolide (CHEBI:50523)
IUPAC Name 
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-uran-3-yl] hydrogen sulate
Manual XrefsDatabases
9600241ChemSpider