CHEBI:181955 - Flavin adenine dinucleotide disodium

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ChEBI Name Flavin adenine dinucleotide disodium
ChEBI ID CHEBI:181955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H31N9O15P2.Na.Na
Net Charge 0
Average Mass 829.520
Monoisotopic Mass 829.12102
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
SMILES P(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@H](O)[C@@H]1O)(OP(OC[C@@H](O)[C@@H](O)[C@@H](O)CN4C5=C(N=C6C4=NC(=O)NC6=O)C=C(C(=C5)C)C)([O-])=O)([O-])=O.[Na+].[Na+]
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
2015777 ChemSpider
D02011 KEGG DRUG
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Registry Number Type Source
84366-81-4 CAS Registry Number ChemIDplus