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CHEBI:60535 - molybdopterin guanine dinucleotide(3−)

ChEBI IDCHEBI:60535
ChEBI Namemolybdopterin guanine dinucleotide(3−)
Stars
ASCII Namemolybdopterin guanine dinucleotide(3-)
DefinitionAn organophosphate oxoanion that is molybdopterin guanine dinucleotide protonated to pH 7.3.
Last Modified22 May 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H23N10O13P2S2
Net Charge-3
Average Mass737.543
Monoisotopic Mass737.03792
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(=O)nc(N)nc43)[C@H](O)[C@@H]1O)C([S-])=C2S
InChIInChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/p-3/t4-,5-,6+,9-,10-,17-,18-/m1/s1
InChIKeyVQAGYJCYOLHZDH-ILXWUORBSA-K
ChEBI Ontology
Outgoing Relation(s)
molybdopterin guanine dinucleotide(3−) (CHEBI:60535) is a organophosphate oxoanion (CHEBI:58945)
molybdopterin guanine dinucleotide(3−) (CHEBI:60535) is conjugate base of molybdopterin guanine dinucleotide (CHEBI:30404)
Incoming Relation(s)
molybdopterin guanine dinucleotide (CHEBI:30404) is conjugate acid of molybdopterin guanine dinucleotide(3−) (CHEBI:60535)
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}guanosine