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8-oxocoformycin

PropertiesImage
MNX_IDMNXM93045 Image of MNXM93045
referencechebi:76278
formulaC11H15N4O5
global charge1
mol weight283.264
InChIKeyPICFAMQFTUCMDC-PNHWDRBUSA-O
InChIInChI=1S/C11H14N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-4,6,8-9,11,16,18-19H,1-2H2,(H,12,13)/p+1/t6-,8-,9-,11-/m1/s1
SMILESO=C1CNC=[NH+]C2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C11H14N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-4,6,8-9,11,16,18-19H,1-2H2,(H,12,13)/t6-,8-,9-,11-/m1/s1 Image of MNXM93045
SMILES (mnx)[CH2:1]1[C:5](=[O:17])[C:7]2=[C:10]([NH:13][CH:3]=[N:12]1)[N:15]([C@H:11]1[C@H:9]([OH:19])[C@H:8]([OH:18])[C@@H:6]([CH2:2][OH:16])[O:20]1)[CH:4]=[N:14]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76278
chebi:76278
PICFAMQFTUCMDC-PNHWDRBUSA-O 		8-oxocoformycin
3-(beta-D-ribofuranosyl)-6,7-dihydroimidazo[4,5-d][1,3]diazepin-4-ium
dehydrocoformycin(1+)

kegg.compound:C02243
keggC:C02243
PICFAMQFTUCMDC-PNHWDRBUSA-N 		8-Oxocoformycin

seed.compound:cpd01517
seedM:cpd01517
PICFAMQFTUCMDC-PNHWDRBUSA-O 		8-Oxocoformycin
8-oxocoformycin

metacyc.compound:8-OXOCOFORMYCIN
metacycM:8-OXOCOFORMYCIN
PICFAMQFTUCMDC-PNHWDRBUSA-O 		8-oxocoformycin

CHEBI:16299
chebi:16299
PICFAMQFTUCMDC-PNHWDRBUSA-N 		dehydrocoformycin
3-(beta-D-ribofuranosyl)-6,7-dihydroimidazo[4,5-d][1,3]diazepin-8(3H)-one
8-Oxocoformycin

chebi:12269
chebi:20811
chebi:2324
keggC:M_C02243
seedM:M_cpd01517 		secondary/obsolete/fantasy identifier