Ascorbic acid 3-sulfate (CHEBI:176456)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Ascorbic acid 3-sulfate

ChEBI ID	CHEBI:176456

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H8O9S

Net Charge

Average Mass

256.180

Monoisotopic Mass

255.98890

InChI

InChI=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

InChIKey

FBFZPSQPKNIVMT-ZAFYKAAXSA-N

SMILES

S(OC=1[C@](OC(=O)C1O)([C@@H](O)CO)[H])(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	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