{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}sulfonic acid (CHEBI:185033)

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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	{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}sulfonic acid

ChEBI ID	CHEBI:185033

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H13N5O8S

Net Charge

Average Mass

363.300

Monoisotopic Mass

363.04848

InChI

InChI=1S/C10H13N5O8S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,19,20,21)(H3,11,13,14,18)

InChIKey

NAAAVEJZEVEAMU-UHFFFAOYSA-N

SMILES

S(OCC1OC(N2C=3NC(=NC(=O)C3N=C2)N)C(O)C1O)(O)(=O)=O

Metabolite of Species	Details
Bos taurus (NCBI:txid9913)	Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study

ChEBI Ontology
Outgoing	{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}sulfonic acid (CHEBI:185033) is a purine nucleoside (CHEBI:26394)

IUPAC Name

[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen sulate