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dUDP(3-)

AlkaPlorer ID: AK018450

Synonym: 'dUDP trianion', 'dUDP', "2'-deoxyuridine 5'-diphosphate(3-)", "2'-Deoxyuridine 5'-diphosphate", "2'-deoxyuridine 5'-diphosphate trianion"

IUPAC Name: [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Structure

SMILES: O=C1N=C(O)C=CN1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O1

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InChI: InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

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InChIKey: QHWZTVCCBMIIKE-SHYZEUOFSA-N

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Reference

PubChem CID: 145729

CAS: 4208-67-7

LOTUS: LTS0064310

NPASS: NPC326155

Source

Species Genus Family Order Class Phylum Kingdom Domain
Escherichia coli Escherichia Enterobacteriaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria

Properties Information

Molecule Weight: 388.162

TPSA？: 197.87

MolLogP？: -1.1764000000000003

Number of H-Donors: 5

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Purinergic receptor P2Y2 Ratio EC50 22.0 None 10.1021/jm060485n
Homo sapiens Pyrimidinergic receptor P2Y4 Ratio EC50 26.0 None 10.1021/jm060485n
Homo sapiens Pyrimidinergic receptor P2Y6 EC50 1720.0 nM 10.1021/jm050911p
Homo sapiens Pyrimidinergic receptor P2Y6 EC50 1720.0 nM 10.1021/jm060485n
Homo sapiens Pyrimidinergic receptor P2Y6 EC50 1720.0 nM 10.1021/jm100287t
Homo sapiens Pyrimidinergic receptor P2Y6 Ratio EC50 130.0 None 10.1021/jm060485n

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT021829 Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1 None
AKRT022060 Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 None
AKRT024447 O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 RXN0-722
AKRT024781 O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1>>O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 R02098
AKRT024782 O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1>>O=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 enzymemap_80251
AKRT024783 O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1>>O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1 RXN-14220
AKRT024784 O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1>>O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 DUDPKIN-RXN
AKRT024785 O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)O2)c(=O)[nH]1>>O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 enzymemap_35896
AKRT024790 O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1>>O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 R02330