CHEBI:43955 - molybdopterin cytosine dinucleotide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name molybdopterin cytosine dinucleotide
ChEBI ID CHEBI:43955
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43948, CHEBI:25373
Supplier Information ZINC000008551237
Download Molfile XML SDF
Formula C19H26N8O13P2S2
Net Charge 0
Average Mass 700.53538
Monoisotopic Mass 700.05360
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)/t5-,6-,8+,10-,11-,16-,17-/m1/s1
InChIKey WKSPNQYEWZEMMI-FEFZDOOUSA-N
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 (CHEBI:43955) is a molybdopterin dinucleotide (CHEBI:37146)
molybdopterin cytosine dinucleotide (CHEBI:43955) is a molybdopterins (CHEBI:35203)
molybdopterin cytosine dinucleotide (CHEBI:43955) is a thiol (CHEBI:29256)
molybdopterin cytosine dinucleotide (CHEBI:43955) is conjugate acid of molybdopterin cytosine dinucleotide(3−) (CHEBI:60536)
Incoming Mo(V)-molybdopterin cytosine dinucleotide (CHEBI:61127) is a molybdopterin cytosine dinucleotide (CHEBI:43955)
molybdopterin cytosine dinucleotide(3−) (CHEBI:60536) is conjugate base of molybdopterin cytosine dinucleotide (CHEBI:43955)
IUPAC Name
5'-O-[{[({[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Synonyms Sources
dtpp-mCDP COMe
H2Dtpp-mCDP ChEBI
molybdopterin cytosine dinucleotide ChEBI
PTERIN CYTOSINE DINUCLEOTIDE PDBeChem
Manual Xrefs Databases
DB03300 DrugBank
MCN PDBeChem
MOL000080 COMe
View more database links
Last Modified
13 March 2018