CHEBI:62728 - molybdopterin adenine dinucleotide

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ChEBI Name molybdopterin adenine dinucleotide
ChEBI ID CHEBI:62728
Definition A molybdopterin dinucleotide resulting from the formal condensation of the phosphate groups of molybdopterin and adenosine 5'-monophosphate to give a diphosphate linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7459063, eMolecules:729327, ZINC000001529372
Download Molfile XML SDF
Formula C20H26N10O12P2S2
Net Charge 0
Average Mass 724.55800
Monoisotopic Mass 724.06483
InChI InChI=1S/C20H26N10O12P2S2/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)/t5-,6-,7+,10-,11-,18-,19-/m1/s1
InChIKey XJXFAXLUOKQPAQ-YPRLVJTJSA-N
SMILES [H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)O2
ChEBI Ontology
Outgoing molybdopterin adenine dinucleotide (CHEBI:62728) is a molybdopterin dinucleotide (CHEBI:37146)
molybdopterin adenine dinucleotide (CHEBI:62728) is conjugate acid of molybdopterin adenine dinucleotide(3−) (CHEBI:62727)
Incoming molybdopterin adenine dinucleotide(3−) (CHEBI:62727) is conjugate base of molybdopterin adenine dinucleotide (CHEBI:62728)
IUPAC Name
5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
Synonyms Sources
adenylated molybdopterin ChEBI
adenylyl-molybdopterin ChEBI
MPT-AMP ChEBI
Manual Xref Database
CPD-8122 MetaCyc
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Citations Types Sources
15504727 PubMed citation Europe PMC
15632135 PubMed citation Europe PMC
Last Modified
05 December 2012