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CHEBI:62728 - molybdopterin adenine dinucleotide

Default Structure
ChEBI IDCHEBI:62728
ChEBI Namemolybdopterin adenine dinucleotide
Stars
DefinitionA molybdopterin dinucleotide resulting from the formal condensation of the phosphate groups of molybdopterin and adenosine 5'-monophosphate to give a diphosphate linkage.
Last Modified5 December 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H26N10O12P2S2
Net Charge0
Average Mass724.568
Monoisotopic Mass724.06483
SMILES[H][C@@]12Nc3c(nc(N)nc3=O)N[C@]1([H])O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)C(S)=C2S
InChIInChI=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
InChIKeyXJXFAXLUOKQPAQ-YPRLVJTJSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
adenylated molybdopterinChEBI
adenylyl-molybdopterinChEBI
MPT-AMPChEBI
Manual XrefsDatabases
CPD-8122MetaCyc
Citations