CHEBI:60536 - molybdopterin cytosine dinucleotide(3−)

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ChEBI Name molybdopterin cytosine dinucleotide(3−)
ChEBI ID CHEBI:60536
ChEBI ASCII Name molybdopterin cytosine dinucleotide(3-)
Definition Molybdopterin cytosine dinucleotide protonated to pH 7.3
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C19H23N8O13P2S2
Net Charge -3
Average Mass 697.50900
Monoisotopic Mass 697.03177
InChI InChI=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
InChIKey WKSPNQYEWZEMMI-FEFZDOOUSA-K
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)n1ccc(N)nc1=O)O2
ChEBI Ontology
Outgoing 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 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
Synonym Source
molybdopterin cytosine dinucleotide UniProt
Last Modified
27 September 2012