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nucleocidin

MNXM1107585 is deprecated and replaced by MNXM1107584
PropertiesImage
MNX_IDMNXM1107584 Image of MNXM1107584
referencechebi:166872
formulaC10H13FN6O6S
global charge0
mol weight364.315
InChIKeyLTBCQBSAWAZBDF-MLTZYSBQSA-N
InChIInChI=1S/C10H13FN6O6S/c11-10(1-22-24(13,20)21)6(19)5(18)9(23-10)17-3-16-4-7(12)14-2-15-8(4)17/h2-3,5-6,9,18-19H,1H2,(H2,12,14,15)(H2,13,20,21)/t5-,6+,9-,10-/m1/s1
SMILESNC1=C2N=CN([C@@H]3O[C@](F)(COS(N)(=O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C10H13FN6O6S/c11-10(1-22-24(13,20)21)6(19)5(18)9(23-10)17-3-16-4-7(12)14-2-15-8(4)17/h2-3,5-6,9,18-19H,1H2,(H2,12,14,15)(H2,13,20,21)/t5-,6+,9-,10-/m1/s1 Image of MNXM1107584
SMILES (mnx)[CH2:1]([C@:10]1([F:11])[C@@H:6]([OH:19])[C@@H:5]([OH:18])[C@H:9]([N:17]2[CH:3]=[N:16][C:4]3=[C:7]([NH2:12])[N:14]=[CH:2][N:15]=[C:8]32)[O:23]1)[O:22][S:24]([NH2:13])(=[O:20])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166872
chebi:166872
LTBCQBSAWAZBDF-MLTZYSBQSA-N 		nucleocidin
4'-C-fluoroadenosine 5'-sulfamate
4'-fluoro-5'-O-sulfamoyladenosine
4'-fluoro-5'-O-sulphamoyladenosine
T-3018
[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-fluoro-3,4-dihydroxytetrahydrofuran-2-yl]methyl sulfamate
[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-fluoro-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
antibiotic T-3018

seed.compound:cpd23547
seedM:cpd23547
LTBCQBSAWAZBDF-MLTZYSBQSA-N 		4-fuoro-5-O-sulphamoyladenosine
4'-fluoro-5'-O-sulphamoyladenosine
nucleocidin

metacyc.compound:CPD-12712
metacycM:CPD-12712
LTBCQBSAWAZBDF-MLTZYSBQSA-N 		nucleocidin
4'-fluoro-5'-O-sulphamoyladenosine

seedM:M_cpd23547 		secondary/obsolete/fantasy identifier