CHEBI:62727 - molybdopterin adenine dinucleotide(3−)

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ChEBI Name molybdopterin adenine dinucleotide(3−) ChEBI ID CHEBI:62727 ChEBI ASCII Name molybdopterin adenine dinucleotide(3-) Definition An organophosphate oxoanion that is molybdopterin adenine dinucleotide protonated to pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H23N10O12P2S2 Net Charge -3 Average Mass 721.53400 Monoisotopic Mass 721.04300 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)/p-3/t5-,6-,7+,10-,11-,18-,19-/m1/s1 InChIKey XJXFAXLUOKQPAQ-YPRLVJTJSA-K 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(3−) (CHEBI:62727) is a organophosphate oxoanion (CHEBI:58945) molybdopterin adenine dinucleotide(3−) (CHEBI:62727) is conjugate base of molybdopterin adenine dinucleotide (CHEBI:62728) Incoming molybdopterin adenine dinucleotide (CHEBI:62728) is conjugate acid of molybdopterin adenine dinucleotide(3−) (CHEBI:62727) IUPAC Name 5'-O-{[({[(5aR,8R,9aR)-2-amino-4-oxo-6-sulfanyl-7-sulfido-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}phosphinato)oxy]phosphinato}adenosine Synonyms Sources adenylated molybdopterin(3−) ChEBI adenylyl-molybdopterin UniProt adenylyl-molybdopterin(3−) ChEBI MPT-AMP(3−) ChEBI Manual Xref Database CPD-8122 MetaCyc View more database links Citations Types Sources 15504727 PubMed citation Europe PMC 15632135 PubMed citation Europe PMC Last Modified 05 December 2012