Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110255
Identification Name:
MoO2 -molybdopterin cofactor Description: Not Available
Structure
Synonyms:
MoCo (dioxyo)
molybdenum cofactor (dioxyo)
MoO2 (OH)Dtpp-mP
{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-κS )-1,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)molybdate
MoO2 -Mo-MPT
Chemical Formula:
C10 H10 N5 O8 PS2 Mo
Average Molecular Weight:
522.891898078 Monoisotopic Molecular
Weight:
522.891898078 InChI Key:
HDAJUGGARUFROU-JSUDGWJLSA-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;;/p-4/t2-,3+,9-;;;/m1.../s1 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: C(OP([O-])(=O)[O-])C2(C1(S[Mo](=O)(=O)SC=1[CH]3([CH](O2)NC4(=C(N3)C(=O)NC(N)=N4))))
Chemical Taxonomy
Taxonomy Description This compound belongs to the class of organic compounds known as molybdopterins. These are cofactors or analogs thereof, with a structure based on a furan ring fused to a pterin. In addition, the pyran ring features two thiolates, which serve as ligands in molybdo- and tungstoenzymes. In some cases, the alkyl phosphate group is replaced by an alkyl diphosphate nucleotide.
Kingdom
Organic compounds Super Class Organoheterocyclic compounds
Class
Pteridines and derivatives Sub Class Pterins and derivatives
Direct Parent
Molybdopterins Alternative Parents
Substituents
Molybdopterin Pyranopterin Aminopyrimidine Pyrimidone Secondary aliphatic/aromatic amine Organic phosphoric acid derivative Phosphoric acid ester Pyran Pyrimidine Imidolactam Alkyl phosphate Heteroaromatic compound Vinylogous amide Lactam Metalloheterocycle Oxacycle Azacycle Organic metal salt Organic transition metal salt Secondary amine Organic nitrogen compound Primary amine Hydrocarbon derivative Organooxygen compound Organonitrogen compound Organic oxide Organic oxygen compound Amine Organic salt Organopnictogen compound Organic anion Aromatic heteropolycyclic compound Molecular Framework
Aromatic heteropolycyclic compounds External Descriptors
Not Available
Physical Properties State:
Not Available Charge: Not Available
Melting point:
Not Available Experimental Properties:
Not Available Predicted Properties
Biological Properties Cellular Locations:
Not Available Reactions:
Pathways:
Spectra Spectra:
Not Available
References References:
Not Available Synthesis Reference:
Not Available Material Safety Data Sheet (MSDS)
Not Available
Links External Links:
This project is supported by
the University of Maryland ,
School of Pharmacy ,
Mass Spectrometry Center , a Waters Center of Excellence. The center is an NIH-investigator funded research and core facility that supports a wide range of cutting-edge metabolomic studies. The Center is supported through a center grant from the University of Maryland and NIH grants to its members. The PAMDB project is affiliated with
The Metabolomics Innovation Centre (TMIC) a leading metabolomics research and service center funded through Genome Alberta, Genome British Columbia and Genome Canada.
