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CHEBI:60538 - Mo(V)-molybdopterin cytosine dinucleotide(2−)

ChEBI IDCHEBI:60538
ChEBI NameMo(V)-molybdopterin cytosine dinucleotide(2−)
Stars
ASCII NameMo(V)-molybdopterin cytosine dinucleotide(2-)
DefinitionAn organophosphate oxoanion arising from deprotonation of the two diphosphate OH groups of Mo(V)-molybdopterin cytosine dinucleotide; major species at pH 7.3.
Last Modified22 May 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H25MoN8O16P2S2
Net Charge-2
Average Mass843.471
Monoisotopic Mass844.93702
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](n3ccc(N)nc3=O)[C@H](O)[C@@H]1O)C1=C2[S][Mo]([OH])([OH])([OH])[S]1
InChIInChI=1S/C19H26N8O13P2S2.Mo.3H2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14;;;;/h1-2,5-6,8,10-11,16-17,23,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H4,21,24,25,26,30);;3*1H2/q;+5;;;/p-7/t5-,6-,8+,10-,11-,16-,17-;;;;/m1..../s1
InChIKeyGISCHECZIOGHRK-MQPNXHJTSA-G
ChEBI Ontology
Outgoing Relation(s)
Mo(V)-molybdopterin cytosine dinucleotide(2−) (CHEBI:60538) is a organophosphate oxoanion (CHEBI:58945)
Mo(V)-molybdopterin cytosine dinucleotide(2−) (CHEBI:60538) is conjugate base of Mo(V)-molybdopterin cytosine dinucleotide (CHEBI:61127)
Incoming Relation(s)
Mo(V)-molybdopterin cytosine dinucleotide (CHEBI:61127) is conjugate acid of Mo(V)-molybdopterin cytosine dinucleotide(2−) (CHEBI:60538)
Synonym  Source
Mo(V)-molybdopterin cytosine dinucleotide dianionChEBI