**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

2,8-dioxoadenine

Properties Image MNX_ID MNXM34631 reference chebi:179632 formula C5H5N5O2 global charge 0 mol weight 167.128 InChIKey XFBOJHLYDJZYSP-UHFFFAOYSA-N InChI InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12) SMILES Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c12 MNX internals InChI (mnx) InChI=1/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12) SMILES (mnx) [c:1]12[c:2]([NH2:6])[nH:8][c:5](=[O:12])[n:10][c:3]1[nH:9][c:4](=[O:11])[nH:7]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:179632 chebi:179632 XFBOJHLYDJZYSP-UHFFFAOYSA-N	2,8-dioxoadenine 2,8-dioxyadenine 6-amino-1H-purine-2,8(7H,9H)-dione
kegg.compound:C22500 keggC:C22500 XFBOJHLYDJZYSP-UHFFFAOYSA-N	2,8-Dihydroxyadenine
hmdb:HMDB0000401 XFBOJHLYDJZYSP-UHFFFAOYSA-N	2,8-Dihydroxyadenine (6R)-2,6-2,8-Dihydroxyadenine 2,8-Dioxyadenine 6-Amino-1H-purine-2,8(3H,7H)-dione 6-Amino-2,8-dihydroxypurine 6-Amino-7H-purine-2,8-diol 6-Amino-purine-2,8-diol 6-amino-2,8-dihydroxypurine 6-amino-7H-purine-2,8-diol Dimethyloctanoate Dimethyloctanoic acid
CHEBI:183641 chebi:183641 XFBOJHLYDJZYSP-UHFFFAOYSA-N	2,8-dihydroxyadenine 2,8-DHA 6-amino-2,8-dihydroxypurine 6-amino-9H-purine-2,8-diol 6-amino-purine-2,8-diol
vmhM:ade28dox vmhM:ade28dox vmhmetabolite:ade28dox vmhmetabolite:ade28dox XFBOJHLYDJZYSP-UHFFFAOYSA-N	2,8-dioxoadenine (6R)-2,6-2,8-Dihydroxyadenine 2,8-Dihydroxyadenine 2,8-Dioxyadenine 6-Amino-1H-purine-2,8(3H,7H)-dione 6-Amino-2,8-dihydroxypurine 6-Amino-7H-purine-2,8-diol 6-Amino-purine-2,8-diol Cytoplasma Dimethyloctanoate Dimethyloctanoic acid
hmdb:HMDB00401 vmhM:28dhade vmhM:28dhade keggC:M_C22500 vmhM:M_ade28dox	secondary/obsolete/fantasy identifier