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
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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
Last Modified
22 May 2024