CHEBI:60539 - Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−)
ChEBI ID CHEBI:60539
ChEBI ASCII Name Mo(=O)-bis(molybdopterin guanine dinucleotide)(4-)
Definition An organophosphate oxoanion arising from deprotonation of the four diphosphate OH groups of molybdate-bis(molybdopterin guanine dinucleotide); major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C40H44MoN20O27P4S4
Net Charge -4
Average Mass 1584.99000
Monoisotopic Mass 1585.957
InChI InChI=1S/2C20H26N10O13P2S2.Mo.O/c2*21-19-26-13-7(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;;/h2*3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;/q;;+4;/p-8/t2*4-,5?,6?,9-,10-,17?,18-;;/m11../s1
InChIKey SPLYCLQDZVSNSU-QLYGWHLRSA-F
SMILES Nc1nc2NC3OC(COP([O-])(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)C4=C(S[Mo]5(=O)(S4)SC4=C(S5)C5Nc6c(NC5OC4COP([O-])(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)nc(N)[nH]c6=O)C3Nc2c(=O)[nH]1
ChEBI Ontology
Outgoing Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539) is a organophosphate oxoanion (CHEBI:58945)
Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539) is conjugate base of Mo(=O)-bis(molybdopterin guanine dinucleotide) (CHEBI:61145)
Incoming Mo(=O)-bis(molybdopterin guanine dinucleotide) (CHEBI:61145) is conjugate acid of Mo(=O)-bis(molybdopterin guanine dinucleotide)(4−) (CHEBI:60539)
Synonyms Sources
Mo(=O)-bis(molybdopterin guanine dinucleotide) tetraanion ChEBI
Mo-bis(molybdopterin guanine dinucleotide) UniProt
molybdate-bis(molybdopterin guanine dinucleotide) tetraanion ChEBI
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Last Modified
28 January 2011