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CHEBI:60536 - molybdopterin cytosine dinucleotide(3−)

Default Structure
ChEBI IDCHEBI:60536
ChEBI Namemolybdopterin cytosine dinucleotide(3−)
Stars
ASCII Namemolybdopterin cytosine dinucleotide(3-)
DefinitionMolybdopterin cytosine dinucleotide protonated to pH 7.3
Last Modified22 May 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H23N8O13P2S2
Net Charge-3
Average Mass697.518
Monoisotopic Mass697.03177
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)C([S-])=C2S
InChIInChI=1S/C19H26N8O13P2S2/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)/p-3/t5-,6-,8+,10-,11-,16-,17-/m1/s1
InChIKeyWKSPNQYEWZEMMI-FEFZDOOUSA-K
ChEBI Ontology
Outgoing Relation(s)
molybdopterin cytosine dinucleotide(3−) (CHEBI:60536) is a organophosphate oxoanion (CHEBI:58945)
molybdopterin cytosine dinucleotide(3−) (CHEBI:60536) is conjugate base of molybdopterin cytosine dinucleotide (CHEBI:43955)
Incoming Relation(s)
molybdopterin cytosine dinucleotide (CHEBI:43955) is conjugate acid of molybdopterin cytosine dinucleotide(3−) (CHEBI:60536)
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}cytidine