L-Dihydroorotic acid

Details

• Internal ID: bc01b79a-2a08-4f33-98c8-249a7c01298f
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid
• SMILES (Canonical): C1C(NC(=O)NC1=O)C(=O)O
• SMILES (Isomeric): C1[C@H](NC(=O)NC1=O)C(=O)O
• InChI: InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1
• InChI Key: UFIVEPVSAGBUSI-REOHCLBHSA-N
• Popularity: 101 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₆N₂O₄
• Molecular Weight: 158.11 g/mol
• Exact Mass: 158.03275668 g/mol
• Topological Polar Surface Area (TPSA): 95.50 Ų
• XlogP: -1.50

Synonyms

• 5988-19-2
• (S)-2,6-Dioxohexahydropyrimidine-4-carboxylic acid
• L-dihydroorotate
• Hydroorotic acid, L-
• L-Hydroorotic acid
• (S)-dihydroorotic acid
• (S)-dihydroorotate
• (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid
• L-5,6-dihydroorotic acid
• Dihydro-L-orotic acid
• 4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-, (4S)-
• L-4,5-dihydroorotic acid
• Hydroorotic acid L-form [MI]
• (S)-4,5-Dihydroorotate
• UNII-4LPL64ZNA5
• 4LPL64ZNA5
• (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
• (S)-4,5-dihydroorotic acid
• dihydro-L-orotate
• 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid
• DOR
• Orotic acid, 4,5-dihydro-
• (S)-2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid
• MFCD00085339
• 1xge
• bmse000342
• Orotic acid, dihydro-, l-
• SCHEMBL417324
• L-Dihydroorotic acid, >=99%
• CHEBI:17025
• DTXSID30331399
• UFIVEPVSAGBUSI-REOHCLBHSA-N
• s6111
• AKOS006237846
• CS-W016211
• DB02129
• DS-1272
• HY-W015495
• AC-23957
• AM20100462
• C00337
• EN300-215912
• hexahydro-2,6-dioxo-4-Pyrimidinecarboxylic acid
• A832525
• Q-101528
• 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid- (L)-
• Q27093197
• Z1198153153
• B6065778-D9A6-498E-9226-03E068EAF3F9

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	98.59%	83.82%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.49%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.04%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.54%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.52%	97.09%
CHEMBL299	P17252	Protein kinase C alpha	85.33%	98.03%
CHEMBL2581	P07339	Cathepsin D	84.26%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.99%	95.56%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	80.39%	96.39%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.26%	85.14%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 439216
• LOTUS: LTS0031196
• wikiData: Q27093197