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CHEBI:181955 - Flavin adenine dinucleotide disodium
| Formula | C27H31N9O15P2.2Na |
| Net Charge | 0 |
| Average Mass | 829.521 |
| Monoisotopic Mass | 829.12102 |
| SMILES | Cc1cc2nc3c(=O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C.[Na+].[Na+] |
| InChI | InChI=1S/C27H33N9O15P2.2Na/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36;;/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43);;/q;2*+1/p-2/t14-,15+,16+,19-,20+,21+,26+;;/m0../s1 |
| InChIKey | XLRHXNIVIZZOON-WFUPGROFSA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Flavin adenine dinucleotide disodium (CHEBI:181955) is a flavin nucleotide (CHEBI:36981) |
| IUPAC Name |
|---|
| disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate |
| Registry Numbers | Sources |
|---|---|
| CAS:84366-81-4 | ChemIDplus |