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Record Information
Version	2.0
Creation Date	2012-10-10 12:23:20 -0600
Update Date	2015-06-03 17:26:14 -0600
Secondary Accession Numbers	ECMDB23236
Identification
Name:	molybdenum cofactor
Description	Molybdenum cofactor is a cofactor required for the activity of enzymes such as sulfite oxidase, xanthine oxidoreductase, and aldehyde oxidase. It is a coordination complex formed between molybdopterin (which, despite the name, does not contain molybdenum) and an oxide of molybdenum. Molybdenum-containing enzymes catalyze basic metabolic reactions in the nitrogen, sulfur, and carbon cycles. With the exception of the nitrogenase cofactor, molybdenum is incorporated into proteins as the molybdenum cofactor that contains a mononuclear molybdenum atom coordinated to the sulfur atoms of a pterin derivative named molybdopterin. Certain microorganisms can also utilize tungsten in a similar fashion. Molybdenum-cofactor-containing enzymes catalyze the transfer of an oxygen atom, ultimately derived from or incorporated into water, to or from a substrate in a two-electron redox reaction.
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0x6d643774> Close
Synonyms:	MCD MoCo Molybdenum enzyme molybdenum cofactor Molybdoenzyme molybdenum-containing cofactor Molybdopterin cytosine dinucleotide MoO2(OH)DTPP-mCDP MoO2(OH)Dtpp-mCDP Nitrate reductase molybdenum cofactor Nitric acid reductase molybdenum cofactor Pterin molybdenum cofactor
Chemical Formula:	C10H18MoN5O8PS2
Weight:	Average: 527.32 Monoisotopic: 528.938848315
InChI Key:	VUKICSJFFDCESC-UHFFFAOYSA-N
InChI:	InChI=1S/C10H14N5O6PS2.Mo.2H2O/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);;2*1H2/q;+2;;
CAS number:	73508-07-3
IUPAC Name:	molybdenum(2+) ion ({4-hydroxy-2-imino-6,7-disulfanyl-1H,2H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-8-yl}methoxy)phosphonic acid dihydrate
Traditional IUPAC Name:	molybdenum(2+) ion molybdopterin cofactor dihydrate
SMILES:	O.O.[Mo++].OC1=NC(=N)NC2=C1NC1C(N2)OC(COP(O)(O)=O)C(S)=C1S
Chemical Taxonomy
Description	belongs to the class of organic compounds known as pyranopterins and derivatives. These are pterin derivatives in which a pyran ring is fused either to the pyrimidine ring or the pyrazine ring of the pterin moiety.
Kingdom	Organic compounds
Super Class	Organoheterocyclic compounds
Class	Pteridines and derivatives
Sub Class	Pterins and derivatives
Direct Parent	Pyranopterins and derivatives
Alternative Parents	Secondary alkylarylamines Monoalkyl phosphates Hydroxypyrimidines Pyrans Heteroaromatic compounds Thioenols Oxacyclic compounds Organic transition metal salts Azacyclic compounds Alkylthiols Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Substituents	Pyranopterin Hydroxypyrimidine Monoalkyl phosphate Secondary aliphatic/aromatic amine Alkyl phosphate Pyrimidine Pyran Phosphoric acid ester Organic phosphoric acid derivative Heteroaromatic compound Oxacycle Azacycle Organic transition metal salt Thioenol Secondary amine Alkylthiol Organic nitrogen compound Organic oxygen compound Organopnictogen compound Organic oxide Hydrocarbon derivative Organic salt Organosulfur compound Organooxygen compound Organonitrogen compound Amine Organic cation Aromatic heteropolycyclic compound
Molecular Framework	Aromatic heteropolycyclic compounds
External Descriptors	Not Available
Physical Properties
State:	Solid
Charge:	-2
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source logP -5 ChemAxon pKa (Strongest Acidic) -4.1 ChemAxon pKa (Strongest Basic) 15 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 10 ChemAxon Hydrogen Donor Count 9 ChemAxon Polar Surface Area 168.52 Ų ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 109.78 m³·mol⁻¹ ChemAxon Polarizability 34.89 ų ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	Adenylyl-molybdopterin + Hydrogen ion + Molybdate > Adenosine monophosphate + Water + molybdenum cofactor molybdenum cofactor + Cytidine triphosphate + Hydrogen ion > Pyrophosphate + Cytidylyl molybdenum cofactor molybdenum cofactor + Cytidine triphosphate + Hydrogen ion > Molybdopterin cytosine dinucleotide + Pyrophosphate
SMPDB Pathways:	GTP degradation PW001888
KEGG Pathways:	Not Available
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (TMS_5_16) - 70eV, Positive Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 21437 HMDB ID HMDB02206 Pubchem Compound ID 23304237 Kegg ID C05924 ChemSpider ID Not Available Wikipedia Molybdopterin BioCyc ID CPD0-1882 EcoCyc ID CPD0-1882

Enzymes