EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

Default Structure
ChEBI IDCHEBI:185033
ChEBI Name{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H13N5O8S
Net Charge0
Average Mass363.308
Monoisotopic Mass363.04848
SMILESNc1nc(=O)c2ncn(C3OC(COS(=O)(=O)O)C(O)C3O)c2n1
InChIInChI=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)
InChIKeyNAAAVEJZEVEAMU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
{[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
Manual XrefsDatabases
15242680ChemSpider