MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(S)-5-hydroxyisourate

	Properties	Image
MNX_ID	MNXM1137
reference	metacycM:5-HYDROXYISOURATE
formula	C₅H₄N₄O₄
global charge	0
mol weight	184.111
InChIKey	LTQYPAVLAYVKTK-YFKPBYRVSA-N
InChI	InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/t5-/m0/s1
SMILES	O=C1N=C2NC(=O)N[C@@]2(O)C(=O)N1

MNX internals

InChI (mnx)	InChI=1/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/t5-/m0/s1
SMILES (mnx)	[C:1]12=[N:6][C:3](=[O:11])[N:8]=[C:2]([OH:10])[C@:5]1([OH:13])[NH:9][C:4]([OH:12])=[N:7]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:5-HYDROXYISOURATE metacycM:5-HYDROXYISOURATE LTQYPAVLAYVKTK-YFKPBYRVSA-N	(S)-5-hydroxyisourate
bigg.metabolite:5hiu biggM:5hiu bigg.metabolite:C11821 biggM:C11821 sabiork.compound:1921 sabiorkM:1921 kegg.compound:C11821 keggC:C11821 LTQYPAVLAYVKTK-UHFFFAOYSA-N	5-Hydroxyisourate
vmhM:C11821 vmhmetabolite:C11821 LTQYPAVLAYVKTK-YFKPBYRVSA-N	5-Hydroxyisourate (5S)-5,6,8-trihydroxy-5,7-dihydro-2H-purin-2-one
hmdb:HMDB0030097 LTQYPAVLAYVKTK-YFKPBYRVSA-N	5-Hydroxyisourate (5S)-5,6,8-trihydroxy-5,7-dihydro-2H-purin-2-one (5S)-5,6,8-trihydroxy-7H-purin-2-one (S)-5-Hydroxyisouric acid 5,7-Dihydro-5-hydroxy-1H-purine-2,6,8(3H)-trione 5-Hydroxyisouric acid 5H-Purine-2,5,6,8-tetrol
seed.compound:cpd08625 seedM:cpd08625 LTQYPAVLAYVKTK-YFKPBYRVSA-N	5-Hydroxyisourate (S)-5-hydroxyisourate 5-hydroxyisourate
CHEBI:18072 chebi:18072 LTQYPAVLAYVKTK-UHFFFAOYSA-N	5-hydroxyisourate 5-Hydroxyisourate 5-hydroxy-5,7-dihydro-1H-purine-2,6,8(9H)-trione 5-hydroxyisouric acid
CHEBI:59562 chebi:59562 LTQYPAVLAYVKTK-UHFFFAOYSA-M	5-hydroxyisouric acid anion 5-hydroxy-2,6-dioxo-2,5,6,7-tetrahydro-1H-purin-8-ol anion 5-hydroxy-2,6-dioxo-2,5,6,7-tetrahydro-1H-purin-8-olate 5-hydroxyisourate
hmdb:HMDB30097 chebi:12137 chebi:20588 chebi:2074 biggM:M_5hiu biggM:M_C11821 keggC:M_C11821 seedM:M_cpd08625 vmhM:M_C11821	secondary/obsolete/fantasy identifier