EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125430 - methanesulfonic acid [(2R,5R)-2-(6-amino-2-chloro-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester

Default Structure
ChEBI IDCHEBI:125430
ChEBI Namemethanesulfonic acid [(2R,5R)-2-(6-amino-2-chloro-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester
Stars
DownloadsMolfile
FormulaC11H14ClN5O6S
Net Charge0
Average Mass379.782
Monoisotopic Mass379.03533
SMILESCS(=O)(=O)OC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(Cl)nc21
InChIInChI=1S/C11H14ClN5O6S/c1-24(20,21)23-7-6(19)4(2-18)22-10(7)17-3-14-5-8(13)15-11(12)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,6?,7?,10-/m1/s1
InChIKeyFDTCNNHAFXRTPU-DGPXGRDGSA-N
ChEBI Ontology
Outgoing Relation(s)
methanesulfonic acid [(2R,5R)-2-(6-amino-2-chloro-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester (CHEBI:125430) is a purine nucleoside (CHEBI:26394)
Manual XrefsDatabases
LSM-36919LINCS