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Identification
Name Molybdenum Cofactor
Accession Number DB02137 (EXPT02517)
Type small molecule
Groups experimental
Description

Absence of molybdenum cofactor leads to accumulation of toxic levels of sulphite and neurological damage usually leading to death within months of birth, due to the lack of active sulfite oxidase.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
MoCo
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 872689-63-9
Weight Average: 519.26
Monoisotopic: 520.876248059
Chemical Formula C10H10MoN5O8PS2
InChI Key InChIKey=UCICVTHYJCEWTJ-UHFFFAOYSA-J
InChI
InChI=1S/C10H14N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;;/q;+2;;-1/p-4
Plain Text
IUPAC Name
5-amino-7,13-dioxo-16-[(phosphonatooxy)methyl]-17-oxa-12,14-dithia-2,4,6,9-tetraaza-13-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),5,11(15)-trien-13-olate
SMILES
NC1=NC(=O)C2=C(NC3OC(COP([O-])([O-])=O)C4=C(S[Mo]([O-])(=O)S4)C3N2)N1
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 1.61e+01 g/l ALOGPS
logP -0.66 ALOGPS
logP -3.1 ChemAxon
logS -1.6 ALOGPS
pKa (strongest acidic) 1.19 ChemAxon
pKa (strongest basic) 3.13 ChemAxon
physiological charge -2 ChemAxon
hydrogen acceptor count 12 ChemAxon
hydrogen donor count 4 ChemAxon
polar surface area 213.32 ChemAxon
rotatable bond count 3 ChemAxon
refractivity 97.61 ChemAxon
polarizability 38.11 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 46936308 Link_out
PubChem Substance 46505896 Link_out
ChEBI 21437 Link_out
ChEMBL 21437 Link_out
HET PCD Link_out
Wikipedia http://en.wikipedia.org/wiki/Molybdenum_cofactor Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Aldehyde oxidoreductase

Pharmacological action: unknown

An aldehyde + H(2)O + acceptor = a carboxylate + reduced acceptor

Organism class: bacterial
UniProt ID: Q46509 Link_out
Gene: mop
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20