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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methanesulfonic acid [(2R,5R)-2-(6-amino-2-chloro-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester
ChEBI ID CHEBI:125430
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C11H14ClN5O6S
Net Charge 0
Average Mass 379.778
Monoisotopic Mass 379.03533
InChI InChI=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
InChIKey FDTCNNHAFXRTPU-DGPXGRDGSA-N
SMILES CS(=O)(=O)OC1[C@@H](O[C@@H](C1O)CO)N2C=NC3=C2N=C(N=C3N)Cl
ChEBI Ontology
Outgoing 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 Xref Database
LSM-36919 LINCS
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