CHEBI:30404 - molybdopterin guanine dinucleotide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name molybdopterin guanine dinucleotide
ChEBI ID CHEBI:30404
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:25374, CHEBI:39830, CHEBI:30403, CHEBI:30406, CHEBI:44012, CHEBI:45054, CHEBI:30405
Supplier Information
Download Molfile XML SDF
Formula C20H26N10O13P2S2
Net Charge 0
Average Mass 740.55956
Monoisotopic Mass 740.060
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)/t4-,5-,6+,9-,10-,17-,18-/m1/s1
InChIKey VQAGYJCYOLHZDH-ILXWUORBSA-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)n1cnc3c1nc(N)[nH]c3=O)O2
ChEBI Ontology
Outgoing molybdopterin guanine dinucleotide (CHEBI:30404) is a molybdopterin dinucleotide (CHEBI:37146)
molybdopterin guanine dinucleotide (CHEBI:30404) is a molybdopterins (CHEBI:35203)
molybdopterin guanine dinucleotide (CHEBI:30404) is conjugate acid of molybdopterin guanine dinucleotide(3−) (CHEBI:60535)
Incoming molybdopterin guanine dinucleotide(3−) (CHEBI:60535) is conjugate base of molybdopterin guanine dinucleotide (CHEBI:30404)
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]methyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
Synonyms Sources
2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE PDBeChem
dtpp-mGDP COMe
GUANOSINE-5'-DIPHOSPHATE PTERIN MOIETY OF MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE PDBeChem
H2Dtpp-mGDP ChEBI
MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE PDBeChem
Manual Xrefs Databases
2MD PDBeChem
MGD PDBeChem
MOL000076 COMe
PGD PDBeChem
View more database links
Registry Number Type Source
128007-95-4 CAS Registry Number ChemIDplus
Last Modified
27 March 2008