Orotate
Orotate synonyms
Vitamin B13; Orotonsan; Uracil-6-carbosaeure; OROTIC ACID; 1,2,3,6-Tetrahydro-2,6-dioxopyrimidin-4-carbonsaeure; Oropur; Orotyl; Acido orotico [Spanish]; Acidum oroticum [Latin]; 2,6-Dihydroxy-4-pyrimidinecarboxylic acid; Acidum oroticum [INN-Latin]
Graphical representations:
View large 3D structure
Molecular Formula: C5H4N2O4
Natural Isotopic Abundance Mass: 156.0962600000
Mono-Isotopic Molecular Masses:
- C12N14: 156.017106627
- C13N14: 161.033880816
- C12N15: 158.011176414
- C13N15: 163.0279506026
InChI string: InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
IUPAC: 2,6-dioxo-3H-pyrimidine-4-carboxylic acid
PubChem Compound (CID): 967KEGG Compound ID: C00295
ChemIDplus: 000065861
CAS Registry number: 65-86-1 6784-70-9
EINECS: 200-619-8
CCRIS: 3929
HSDB: 6377
PDB Compound ID: ORO
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)