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5'-chloro-5'-deoxyadenosine

PropertiesImage
MNX_IDMNXM4378 Image of MNXM4378
referencechebi:47133
formulaC10H12ClN5O3
global charge0
mol weight285.691
InChIKeyIYSNPOMTKFZDHZ-KQYNXXCUSA-N
InChIInChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 Image of MNXM4378
SMILES (mnx)[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[CH:8]=[CH:9][CH:10]2[Cl:11]1[NH:12][N:13]([NH:14][OH:19])[N:15]([NH2:16])[O:17]1[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:47133
chebi:47133
IYSNPOMTKFZDHZ-KQYNXXCUSA-N 		5'-chloro-5'-deoxyadenosine
5'-CHLORO-5'-DEOXYADENOSINE
5'-chloroadenosine

sabiork.compound:28247
sabiorkM:28247
IYSNPOMTKFZDHZ-KQYNXXCUSA-N 		5'-Chloro-5'-deoxyadenosine

metacyc.compound:CPD-12676
metacycM:CPD-12676
IYSNPOMTKFZDHZ-KQYNXXCUSA-N 		5'-chloro-5'-deoxyadenosine
5'-CIDA
5'-deoxy-5'-chloroadenosine

kegg.compound:C19768
keggC:C19768
IYSNPOMTKFZDHZ-KQYNXXCUSA-N 		5-Deoxy-5-chloroadenosine

seed.compound:cpd21014
seedM:cpd21014
IYSNPOMTKFZDHZ-KQYNXXCUSA-N 		5-Deoxy-5-chloroadenosine
5'-CIDA
5'-chloro-5'-deoxyadenosine
5'-deoxy-5'-chloroadenosine

keggC:M_C19768
seedM:M_cpd21014 		secondary/obsolete/fantasy identifier