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

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orotate

	Properties	Image
MNX_ID	MNXM235
reference	chebi:30839
formula	C₅H₃N₂O₄
global charge	-1
mol weight	155.089
InChIKey	PXQPEWDEAKTCGB-UHFFFAOYSA-M
InChI	InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1
SMILES	O=C1C=C(C(=O)[O-])NC(=O)N1

MNX internals

InChI (mnx)	InChI=1/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
SMILES (mnx)	[CH:1]1=[C:2]([C:4](=[O:9])[OH:10])[N:6]=[C:5]([OH:11])[N:7]=[C:3]1[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	69
in models (compartimentalized)	28

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-76632 reactomeM:R-ALL-76632 CHEBI:30839 chebi:30839 PXQPEWDEAKTCGB-UHFFFAOYSA-M	orotate 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
bigg.metabolite:orot biggM:orot PXQPEWDEAKTCGB-UHFFFAOYSA-M	Orotate
vmhM:orot vmhmetabolite:orot PXQPEWDEAKTCGB-UHFFFAOYSA-M	Orotate 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
sabiork.compound:2009 sabiorkM:2009 kegg.compound:C00295 keggC:C00295 PXQPEWDEAKTCGB-UHFFFAOYSA-M PXQPEWDEAKTCGB-UHFFFAOYSA-N	Orotate Orotic acid Uracil-6-carboxylic acid
seed.compound:cpd00247 seedM:cpd00247 PXQPEWDEAKTCGB-UHFFFAOYSA-M	Orotate Orotic acid Uracil-6-carboxylic acid orot orotate orotic acid
kegg.drug:D00055 keggD:D00055 PXQPEWDEAKTCGB-UHFFFAOYSA-N	Orotic acid (JAN)
hmdb:HMDB0000226 PXQPEWDEAKTCGB-UHFFFAOYSA-N	Orotic acid 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidecarboxylic acid 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid 1,2,3,6-Tetrahydro-2,6-dioxopyrimidin-4-carbonsaeure 2,6-Dihydroxy-4-pyrimidinecarboxylic acid 2,6-Dihydroxypyrimidine-4-carboxylic acid 2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid 6-Carboxy-2,4-dihydroxypyrimidine 6-Carboxyuracil 6-Uracilcarboxylic acid Acid, orotic Acide orotique Acido orotico Acidum oroticum Animal galactose factor Lactinium Molkensaeure ORO Orodin Oropur Orotate Orotate, potassium Orotate, sodium Orotate, zinc Orotonin Orotonsan Orotsaeure Orotsaure Oroturic Orotyl Potassium orotate Sodium orotate Uracil-6-carbosaeure Uracil-6-carboxylate Uracil-6-carboxylic acid Vitamin b13 Whey factor Zinc orotate orotic acid
metacyc.compound:OROTATE metacycM:OROTATE PXQPEWDEAKTCGB-UHFFFAOYSA-M	orotate orotic acid
CHEBI:16742 chebi:16742 PXQPEWDEAKTCGB-UHFFFAOYSA-N	orotic acid 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid OROTIC ACID Orotic acid Orotsaeure Uracil-6-carboxylic acid
hmdb:HMDB00226 chebi:14698 chebi:25719 chebi:25720 chebi:44781 chebi:7787 biggM:M_orot keggC:M_C00295 keggD:M_D00055 seedM:M_cpd00247 vmhM:M_orot	secondary/obsolete/fantasy identifier