CHEBI:60535 - molybdopterin guanine dinucleotide(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name molybdopterin guanine dinucleotide(3−)
ChEBI ID CHEBI:60535
ChEBI ASCII Name molybdopterin guanine dinucleotide(3-)
Definition An organophosphate oxoanion that is molybdopterin guanine dinucleotide protonated to pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H23N10O13P2S2
Net Charge -3
Average Mass 737.53300
Monoisotopic Mass 737.03792
InChI InChI=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
InChIKey VQAGYJCYOLHZDH-ILXWUORBSA-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)n1cnc3c1nc(N)[nH]c3=O)O2
ChEBI Ontology
Outgoing 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 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
Synonym Source
molybdopterin guanine dinucleotide UniProt
Last Modified
07 December 2011