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CHEBI:61127 - Mo(V)-molybdopterin cytosine dinucleotide

ChEBI IDCHEBI:61127
ChEBI NameMo(V)-molybdopterin cytosine dinucleotide
Stars
DefinitionMolybdopterin cytosine dinucleotide with coordinated molybdenum.
Last Modified28 January 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H27MoN8O16P2S2
Net Charge0
Average Mass845.487
Monoisotopic Mass846.95158
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-5/t5-,6-,8+,10-,11-,16-,17-;;;;/m1..../s1
InChIKeyGISCHECZIOGHRK-MQPNXHJTSA-I
ChEBI Ontology
Outgoing Relation(s)
Mo(V)-molybdopterin cytosine dinucleotide (CHEBI:61127) is a molybdenum coordination entity (CHEBI:35202)
Mo(V)-molybdopterin cytosine dinucleotide (CHEBI:61127) is a molybdopterin cytosine dinucleotide (CHEBI:43955)
Mo(V)-molybdopterin cytosine dinucleotide (CHEBI:61127) is conjugate acid of Mo(V)-molybdopterin cytosine dinucleotide(2−) (CHEBI:60538)
Incoming Relation(s)
Mo(V)-molybdopterin cytosine dinucleotide(2−) (CHEBI:60538) is conjugate base of Mo(V)-molybdopterin cytosine dinucleotide (CHEBI:61127)
IUPAC Name 
{5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidinato(2−)}(trihydroxy)molybdenum