EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:43955 - molybdopterin cytosine dinucleotide
| Formula | C19H26N8O13P2S2 |
| Net Charge | 0 |
| Average Mass | 700.542 |
| Monoisotopic Mass | 700.05360 |
| 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 |
| 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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| molybdopterin cytosine dinucleotide | ChEBI |
| PTERIN CYTOSINE DINUCLEOTIDE | PDBeChem |
| H2Dtpp-mCDP | ChEBI |