CHEBI:231442 - Mo(VI)O2(OH)-molybdopterin adenosine dinucleotide(4−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mo(VI)O2(OH)-molybdopterin adenosine dinucleotide(4−)
ChEBI ID CHEBI:231442
ChEBI ASCII Name Mo(VI)O2(OH)-molybdopterin adenosine dinucleotide(4-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information ChemicalBook:CB2692544, eMolecules:31267396, ZINC000001730395
Download Molfile XML SDF
Formula C20H22MoN10O15P2S2
Net Charge -4
Average Mass 864.470
Monoisotopic Mass 865.92588
InChI InChI=1S/C20H26N10O12P2S2.Mo.3O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15;;;;/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33);;;;/q;+1;;;-1/p-4/t5-,6-,7+,10-,11-,18-,19-;;;;/m1..../s1
InChIKey OOQOEPNVFLIVOM-NKWKRPJXSA-J
SMILES C=12C(=O)NC(N)=NC1N[C@]3([C@@](N2)(C4=C([C@@H](COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](N6C=7N=CN=C(C7N=C6)N)O5)O)O)[O-])[O-])O3)S[Mo-](S4)(=O)(=O)[O-])[H])[H]
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via Mo-molybdopterin cofactor )
cofactor
An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
(via molybdopterin cofactor )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Mo(VI)O2(OH)-molybdopterin adenosine dinucleotide(4−) (CHEBI:231442) is a Mo-molybdopterin cofactor (CHEBI:21437)
Mo(VI)O2(OH)-molybdopterin adenosine dinucleotide(4−) (CHEBI:231442) is a organophosphate oxoanion (CHEBI:58945)
Synonym Source
adenylyl MoO2(OH)-molybdopterin cofactor UniProt
Manual Xref Database
CPD-26685 MetaCyc accession
View more database links
Citation Type Source
34183818 PubMed citation SUBMITTER