Uridine Diphosphate Glucuronic Acid
PubChem CID: 17473
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| Compound Synonyms | Udp-glucuronic acid, uridine diphosphate glucuronic acid, UDP-glucuronate, UDPGA, Udp glucuronic acid, UDPglucuronate, UDP-D-glucuronate, Uridine diphosphoglucuronic acid, 2616-64-0, UDP-alpha-D-glucuronic acid, Uridinediphosphoglucuronic acid, UDP-alpha-D-glucuronate, Uridine 5'-diphospho-glucuronic acid, Uridine 5'-diphosphoglucuronic acid, UDP-D-glucuronic acid, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID, 04SZC4MEFQ, udp-glcua, CHEBI:17200, (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, alpha-D-Glucopyranuronic acid, 1-P'-ester with uridine 5'-(trihydrogen diphosphate), CHEMBL228057, DTXSID00903961, UDP-.ALPHA.-D-GLUCURONIC ACID, UGA, Uridine 5'-diphosphate alpha-D-Glucopyranuronic acid, URIDINE 5'-DIPHOSPHO-.ALPHA.-D-GLUCURONIC ACID, uridine 5'-[3-(alpha-D-glucopyranuronosyl) dihydrogen diphosphate], .ALPHA.-D-GLUCOPYRANURONIC ACID, 1->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE), Acid, UDP Glucuronic, Glucuronic Acid, UDP, UNII-04SZC4MEFQ, UDP glucuronate, uridine 5'-(3-(alpha-D-glucopyranuronosyl) dihydrogen diphosphate), Uridine-5'-Diphosphoglucuronic Acid, Acid, Uridine Diphosphoglucuronic, Diphosphoglucuronic Acid, Uridine, uridine diphosphate glucuronate, UDPglucuronic acid, (2S,3S,4S,5R,6R)-6-(((((((2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-6-((((2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-6-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid, UDP-delta-glucuronate, udp-?-D-glucuronic acid, UDP-delta-glucuronic acid, bmse000292, UDP-, A-D-glucuronic acid, UDP-?-D-galacturonic acid, UDP-alpha-delta-glucuronate, Uridine pyrophosphoglucuronate, Uridine diphosphate-glucuronate, Uridine diphospho-D-glucuronate, GTPL1784, Uridine 5'-diphosphoglucuronate, Uridine pyrophosphoglucuronic acid, HDYANYHVCAPMJV-LXQIFKJMSA-N, DTXCID501331900, Uridine 5'diphosphoglucuronic acid, Uridine diphospho-delta-glucuronate, Uridine diphospho-D-glucuronic acid, (2S,3S,4R,5R,6R)-6-[[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXY-3,4,5-TRIHYDROXY-OXANE-2-CARBOXYLIC, BDBM50209665, Uridine 5'-diphospho-a-D-glucuronate, DB03041, MU07657, Uridine diphospho-delta-glucuronic acid, DA-58863, Uridine 5'-diphospho-a-D-glucuronic acid, NS00015194, Uridine 5'-diphospho-alpha-delta-glucuronate, C00167, Uridine 5'-diphospho-alpha-delta-glucuronic acid, Q277638, URIDINE 5'-DIPHOSPHO-ALPHA-D-GLUCURONIC ACID, Glucopyranuronic acid 1-ester with uridine 5'-pyrophosphate, Uridine[5']diphospho-?-D-galacturonopyranoside, UDP-GlcUA, a-D-Glucopyranuronic acid ester with uridine 5'-pyrophosphate, alpha-delta-Glucopyranuronic acid ester with uridine 5'-pyrophosphate, uridine 5''-[3-(alpha-D-glucopyranuronosyl) dihydrogen diphosphate], uridine 5'-[3-(D-glucopyranosyloxyuronic acid) dihydrogen diphosphate], a-D-Glucopyranuronic acid 1->5'-ester with uridine 5'-(trihydrogen pyrophosphate), alpha-D-Glucopyranuronic acid 1-P'-ester with uridine 5'-(trihydrogen diphosphate), ALPHA-D-GLUCOPYRANURONIC ACID, 1->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE), alpha-delta-Glucopyranuronic acid 1->5'-ester with uridine 5'-(trihydrogen pyrophosphate), alpha-delta-Glucopyranuronic acid 1-P'-ester with uridine 5'-(trihydrogen diphosphate), alphaDGlucopyranuronic acid, 1P'ester with uridine 5'(trihydrogen diphosphate), (2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 309.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC(CCC1CCC(C2CCC(C)CC2C)C1)CC(C)CC1CCCCC1 |
| Np Classifier Class | Aminosugars |
| Deep Smiles | O[C@@H][C@@H]COP=O)OP=O)O[C@H]O[C@H]C=O)O))[C@H][C@@H][C@H]6O))O))O))))))O)))O))))O[C@H][C@@H]5O))nccc=O)[nH]c6=O |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Pyrimidine nucleotides |
| Description | Uridine diphosphate glucuronic acid, also known as udpglucuronate or udp-D-glucuronic acid, is a member of the class of compounds known as pyrimidine nucleotide sugars. Pyrimidine nucleotide sugars are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Uridine diphosphate glucuronic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Uridine diphosphate glucuronic acid can be synthesized from alpha-D-glucuronic acid. Uridine diphosphate glucuronic acid can also be synthesized into UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronic acid. Uridine diphosphate glucuronic acid can be found in a number of food items such as parsley, chervil, black mulberry, and malabar plum, which makes uridine diphosphate glucuronic acid a potential biomarker for the consumption of these food products. Uridine diphosphate glucuronic acid can be found primarily in human liver tissue. Uridine diphosphate glucuronic acid exists in all living species, ranging from bacteria to humans. In humans, uridine diphosphate glucuronic acid is involved in several metabolic pathways, some of which include etoposide metabolism pathway, estrone metabolism, tamoxifen action pathway, and androgen and estrogen metabolism. Uridine diphosphate glucuronic acid is also involved in several metabolic disorders, some of which include porphyria variegata (PV), glycogenosis, type III. cori disease, debrancher glycogenosis, 17-beta hydroxysteroid dehydrogenase III deficiency, and hereditary coproporphyria (HCP). Uridine diphosphate glucuronic acid is made from UDP-glucose by UDP-glucose 6-dehydrogenase (EC 1.1.1.22) using NAD+ as a cofactor. It is the source of the glucuronosyl group in glucuronosyltransferase reactions . |
| Scaffold Graph Node Level | OC1CCN(C2CCC(COP(O)OP(O)OC3CCCCO3)O2)C(O)N1 |
| Classyfire Subclass | Pyrimidine nucleotide sugars |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1040.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Uniprot Id | Q9BY64, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, O60701, O94766, Q9NPZ5, Q9P2W7, Q70JA7, Q8IZ52, Q86X52, Q16394, Q92839, Q93063, O00219, Q92819, Q9P2E5, Q8NBZ7, Q6UWM9, Q5DT02, Q5DSZ6, Q5DSZ7, Q6NUS8, Q3SY77, Q15391 |
| Iupac Name | (2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Class | Lactones |
| Veber Rule | False |
| Classyfire Superclass | Nucleosides, nucleotides, and analogues |
| Xlogp | -6.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Gamma butyrolactones |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H22N2O18P2 |
| Scaffold Graph Node Bond Level | O=c1ccn(C2CCC(CO[PH](=O)O[PH](=O)OC3CCCCO3)O2)c(=O)[nH]1 |
| Inchi Key | HDYANYHVCAPMJV-LXQIFKJMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| State | Solid |
| Synonyms | UDP-alpha-D-Glucuronate, UDP-D-Glucuronate, UDP-Glucuronate, UDPglucuronate, URIDINE-5'-diphosphATE-glucuronIC ACID, UDP-a-D-Glucuronate, UDP-a-D-Glucuronic acid, UDP-alpha-D-Glucuronic acid, UDP-Α-D-glucuronate, UDP-Α-D-glucuronic acid, UDP-D-Glucuronic acid, UDP-Glucuronic acid, UDPglucuronic acid, URIDINE-5'-diphosphate-glucuronate, URIDINE-5'-diphosphoric acid-glucuronic acid, Uridine diphosphate glucuronate, Uridine diphosphoric acid glucuronic acid, a-D-Glucopyranuronic acid 1->5'-ester with uridine 5'-(trihydrogen pyrophosphate), a-D-Glucopyranuronic acid ester with uridine 5'-pyrophosphate, alpha-D-Glucopyranuronic acid 1-p'-ester with uridine 5'-(trihydrogen diphosphate), alpha-delta-Glucopyranuronic acid 1->5'-ester with uridine 5'-(trihydrogen pyrophosphate), alpha-delta-Glucopyranuronic acid 1-p'-ester with uridine 5'-(trihydrogen diphosphate), alpha-delta-Glucopyranuronic acid ester with uridine 5'-pyrophosphate, Glucopyranuronic acid 1-ester with uridine 5'-pyrophosphate, UDP Glucuronate, UDP Glucuronic acid, UDP-alpha-delta-Glucuronate, UDP-delta-Glucuronate, UDP-delta-Glucuronic acid, UDP-GlcUA, UDPGA, UGA, Uridine 5'-diphospho-a-D-glucuronate, Uridine 5'-diphospho-a-D-glucuronic acid, Uridine 5'-diphospho-alpha-delta-glucuronate, Uridine 5'-diphospho-alpha-delta-glucuronic acid, Uridine 5'-diphospho-glucuronic acid, Uridine 5'-diphosphoglucuronate, Uridine 5'-diphosphoglucuronic acid, Uridine 5'-[3-(D-glucopyranosyloxyuronic acid) dihydrogen diphosphate], Uridine diphosphate-glucuronate, Uridine diphospho-D-glucuronate, Uridine diphospho-D-glucuronic acid, Uridine diphospho-delta-glucuronate, Uridine diphospho-delta-glucuronic acid, Uridine diphosphoglucuronate, Uridine diphosphoglucuronic acid, Uridine pyrophosphoglucuronate, Uridine pyrophosphoglucuronic acid, Uridinediphosphoglucuronic acid, Acid, UDP glucuronic, Acid, uridine diphosphoglucuronic, Glucuronic acid, UDP, Diphosphoglucuronic acid, uridine, Uridine 5'-diphospho-alpha-D-glucuronic acid, Uridine 5'-diphospho-α-D-glucuronic acid, Uridine 5’-diphospho-α-D-glucuronic acid, Uridine 5’-diphosphoglucuronic acid, Uridine diphosphate glucuronic acid, uridine diphosphate glucuronic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CO, COC, COP(=O)(O)OP(=O)(O)O[C@H](C)OC, c=O, c[nH]c, cn(c)C |
| Compound Name | Uridine Diphosphate Glucuronic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 580.034 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 580.034 |
| Hydrogen Bond Acceptor Count | 18.0 |
| Molecular Weight | 580.28 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 |
| Smiles | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Gamma butyrolactones |
| Np Classifier Superclass | Aminosugars and aminoglycosides |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/13475324