Uridine-5'-Diphosphate
PubChem CID: 6031
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| Compound Synonyms | Uridine 5'-diphosphate, URIDINE DIPHOSPHATE, 58-98-0, uridine-5'-diphosphate, Uridine 5'-(trihydrogen diphosphate), UDP, 5'-UDP, Uridine 5'-pyrophosphate, Uridine 5'-pyrophosphoric acid, ((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate, CHEMBL130266, [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate, CHEBI:17659, 5G0F599A1Y, Uridine, 5'-(trihydrogen diphosphate), [({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid, Uridine Pyrophosphate, EINECS 200-409-6, UNII-5G0F599A1Y, 1gww, 1gx4, 1o7o, URIDINE_DIPHOSPHATE, bmse000266, Uridine 5'-pyrophosphorate, Uridine diphosphate (6CI), SCHEMBL4245, Lopac0_001205, Uridine pyrophosphate (7CI), GTPL1749, DTXSID001018933, BDBM50118239, BDBM50403871, URIDINE 5'-DIPHOSPHATE [MI], URIDINE 5'-DIPHOSPHORIC ACID, Uridine-5'-(trihydrogen diphosphate), uridine 5''-(trihydrogen diphosphate), DB03435, Uridine 5'-(trihydrogen pyrophosphate), NCGC00163324-01, NS00015192, Uridine 5'-(trihydrogen diphosphate) (9CI), 27821-45-0, C00015, Uridine 5'-(trihydrogen pyrophosphate) (8CI), Q412593, Uridine 5'-(trihydrogen diphosphate-P-32P) (9CI), ((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltrihydrogendiphosphate, 2,4(1H,3H)-pyrimidinedione, 1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-ribofuranosyl]- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 212.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC(C2CCCC2)C(C)C1 |
| Deep Smiles | O[C@@H][C@@H]COP=O)OP=O)O)O)))O))))O[C@H][C@@H]5O))nccc=O)[nH]c6=O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Pyrimidine nucleotides |
| Description | Uridine-5'-diphosphate, also known as udp or uridine 5'-diphosphoric acid, is a member of the class of compounds known as pyrimidine ribonucleoside diphosphates. Pyrimidine ribonucleoside diphosphates are pyrimidine ribonucleotides with diphosphate group linked to the ribose moiety. Uridine-5'-diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Uridine-5'-diphosphate can be found in a number of food items such as napa cabbage, lichee, tea leaf willow, and parsnip, which makes uridine-5'-diphosphate a potential biomarker for the consumption of these food products. Uridine-5'-diphosphate can be found primarily in blood, as well as in human placenta, prostate and thyroid gland tissues. Uridine-5'-diphosphate exists in all living species, ranging from bacteria to humans. In humans, uridine-5'-diphosphate is involved in several metabolic pathways, some of which include morphine action pathway, androgen and estrogen metabolism, estrone metabolism, and amino sugar metabolism. Uridine-5'-diphosphate is also involved in several metabolic disorders, some of which include 17-beta hydroxysteroid dehydrogenase III deficiency, acute intermittent porphyria, beta ureidopropionase deficiency, and g(m2)-gangliosidosis: variant B, tay-sachs disease. |
| Scaffold Graph Node Level | OC1CCN(C2CCCO2)C(O)N1 |
| Classyfire Subclass | Pyrimidine ribonucleotides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 675.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P30085, P49961, Q8WVQ1, O75355, Q9HA47, O00746, P23921, P15531, Q9Y5B8, P31350, P22392, Q13232, O75414, Q9Y223, O60909, P00709, P15291, Q9BY64, P06133, O60568, Q8TDX6, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, Q9UIJ7, Q01813, P17858, P08237, P14618, P30613, Q16739, Q00973, Q9NPC4, Q9Y227, O75354, O75356, O94766, Q9NPZ5, Q9P2W7, Q9BRB3, P37287, Q14442, P57054, Q92535, Q9Y673, Q8NCW6, Q8N4A0, Q14435, Q9NY28, Q8N3T1, Q8N428, Q86SR1, Q8IUC8, Q6IS24, Q6P9A2, Q86SF2, Q8NCL4, Q96FL9, Q10471, Q8IXK2, Q10472, Q7Z7M9, O60512, O60513, O75752, P54840, P46976, P13807, O15488, P16442, Q16880, O96024, Q70JA7, Q8IZ52, Q86X52, Q8TCS8, Q10469, Q16394, Q92839, O43909, Q93063, Q92935, O43505, Q09328, O15294, O00219, Q09327, Q92819, Q9BZX2, Q06430, Q9UBV7, Q9P2E5, Q68VI8, Q8N6G5, Q8NE73, Q9NY97, Q96L58, Q9HCQ5, Q9UBQ6, Q9UM21, Q9UQ53, Q9BYG0, Q9NS00, Q9UBX8, Q6UWM9, Q7LG56, Q5EBM0, Q9NWZ5, Q5MY95, Q49A17, Q7Z4T8, Q8WZA1, Q6L9W6, Q76KP1, Q5DT02, Q5DSZ6, Q5DSZ7, Q2L4S5, Q9NP73, Q5NDL2, Q02742, O95395, Q9P109, Q8N0V5, Q8NFS9, Q8NBJ5, Q8IYK4, Q8NAT1, Q4G148, A0PJZ3, P26572, Q9UBM8, Q3V5L5, P56597, Q6NUS8, Q3SY77, Q8NBI6, P47900, P41231, Q15077, P27708, Q63371, Q15391, P00669, P61823, O15648, Q96QE3, P51582, O89049, P22413, O14638 |
| Iupac Name | [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate |
| Class | Pyrimidine nucleotides |
| Veber Rule | False |
| Classyfire Superclass | Nucleosides, nucleotides, and analogues |
| Xlogp | -4.7 |
| Superclass | Nucleosides, nucleotides, and analogues |
| Subclass | Pyrimidine ribonucleotides |
| Gsk 4 400 Rule | False |
| Molecular Formula | C9H14N2O12P2 |
| Scaffold Graph Node Bond Level | O=c1ccn(C2CCCO2)c(=O)[nH]1 |
| Inchi Key | XCCTYIAWTASOJW-XVFCMESISA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | Uridine diphosphate, Uridine diphosphoric acid, Uridine 5'-diphosphoric acid, 5'-UDP, UDP, Uridine 5'-pyrophosphate, Uridine 5'-pyrophosphorate, Uridine 5'-pyrophosphoric acid, Uridine pyrophosphate, Pyrophosphate, uridine, Diphosphate, uridine, 5’-UDP, Uridine 5'-(trihydrogen pyrophosphate), Uridine 5'-diphosphate, Uridine 5’-(trihydrogen pyrophosphate), Uridine 5’-diphosphate, Uridine 5’-diphosphoric acid, Uridine 5’-pyrophosphate, Uridine 5’-pyrophosphoric acid, uridine diphosphate |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC, COP(=O)(O)OP(=O)(O)O, c=O, c[nH]c, cn(c)C |
| Compound Name | Uridine-5'-Diphosphate |
| Kingdom | Organic compounds |
| Exact Mass | 404.002 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.002 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 404.16 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/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)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Pyrimidine ribonucleoside diphosphates |
| Np Classifier Superclass | Nucleosides |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:ISBN:9788172361150 - 2. Outgoing r'ship
FOUND_INto/from Helianthus Tuberosus (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/4293187 - 3. Outgoing r'ship
FOUND_INto/from Vigna Radiata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/13385245