Showing Metabocard for dCDP (BASm0003577)

Common NameDcdp
DescriptiondCDP is a substrate for Uridine-cytidine kinase 1, Nucleoside diphosphate kinase (mitochondrial), Nucleoside diphosphate kinase homolog 5, Ribonucleoside-diphosphate reductase large subunit, Nucleoside diphosphate kinase A, Nucleoside diphosphate kinase 7, Ribonucleoside-diphosphate reductase M2 chain, Nucleoside diphosphate kinase B, Nucleoside diphosphate kinase 3, Nucleoside diphosphate kinase 6 and UMP-CMP kinase.
Structure
Molecular FormulaC9H15N3O10P2
Average Mass387.17700
Monoisotopic Mass387.02327
IUPAC Name[({[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional Name{[(2r,3s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
CAS Registry Number800-73-7
SMILESNc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)n1
InChI IdentifierInChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChI KeyFTDHDKPUHBLBTL-SHYZEUOFSA-N
CHEBI IDCHEBI:58593
HMDB IDHMDB0001245
Pathways
NameSMPDB/PathBank
Pyrimidine metabolism
Beta Ureidopropionase Deficiency
Dihydropyrimidinase Deficiency
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)
UMP Synthase Deficiency (Orotic Aciduria)
StateSolid
Water Solubility1.13e+01 g/l
logP-1.48
logS-1.53
pKa (Strongest Acidic)1.78
pKa (Strongest Basic)-0.01
Hydrogen Acceptor Count10
Hydrogen Donor Count5
Polar Surface Area201.44 Ų
Rotatable Bond Count6
Physiological Charge-2
Formal Charge0
Refractivity74.78 m³·mol⁻¹
Polarizability30.77

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