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discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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for maintenance.
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discounted EARLY registration ends Dec 31, 2014
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Escherichia coli K-12 substr. MG1655 Compound: FAD

Synonyms: flavin adenine dinucleotide oxidized, flavin adenine dinucleotide, flavitan

Superclasses: a redox electron carrier
an organic heterocyclic compound an organic heterobicyclic compound a pteridine a benzopteridine a flavin an oxidized flavin
an organic heterocyclic compound an organonitrogen heterocyclic compound a pteridine a benzopteridine a flavin an oxidized flavin

Chemical Formula: C27H30N9O15P2

Molecular Weight: 782.53 Daltons

Monoisotopic Molecular Weight: 785.1571344575999 Daltons

SMILES: CC6(=C(C)C=C5(C(N=C1(C(=O)[N-]C(=O)N=C1N(CC(C(O)C(O)COP(OP([O-])(OCC4(C(O)C(O)C(N3(C=NC2(C(N)=NC=NC=23)))O4))=O)([O-])=O)O)5))=C6))

InChI: InChI=1S/C27H33N9O15P2/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,(H5,28,29,30,34,42,43,44,45,46,47)/p-3/t14-,15+,16+,19-,20+,21+,26+/m0/s1

InChIKey: InChIKey=IMGVNJNCCGXBHD-UYBVJOGSSA-K

Unification Links: CAS:146-14-5 , ChEBI:4956 , ChemSpider:13082029 , HMDB:HMDB01248 , IAF1260:33521 , KEGG:C00016 , PubChem:15938970

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -646.338

Reactions known to produce the compound:

flavin biosynthesis I (bacteria and plants) :
ATP + FMN + H+FAD + diphosphate

In Reactions of unknown directionality:

Not in pathways:
an aldehyde[periplasmic space] + FAD[periplasmic space] + H2O[periplasmic space] = a carboxylate[periplasmic space] + FADH2[periplasmic space]

This compound has been characterized as a cofactor or prosthetic group of the following enzymes: aldehyde dehydrogenase , acetoin synthesis , glycerol-3-phosphate dehydrogenase, anaerobic , 5-aminomethyluridine-tRNA synthase , 5-carboxymethylaminomethyluridine-tRNA synthase , UDP-N-acetylenolpyruvoylglucosamine reductase , trimethylamine N-oxide reductase , thioredoxin reductase , sulfite reductase , succinate:quinone oxidoreductase , N-methyltryptophan oxidase , pyruvate dehydrogenase , proline dehydrogenase , nitrite reductase , NADH:ubiquinone oxidoreductase , L-aspartate oxidase , glyoxylate carboligase , glutathione reductase , L-glutamate:NADP+ oxidoreductase (transaminating) , UDP-galactopyranose mutase , fumarate reductase , flavin reductase , L-aspartate oxidase , malate:quinone oxidoreductase , NADH cupric reductase , NADH oxidoreductase , alkylhydroperoxide reductase , NADPH quinone reductase , dihydropteridine reductase , lipoate acetyltransferase N6-(dihydrolipoyl)lysine:NAD+ oxidoreductase , dihydrolipoate dehydrogenase , nitric oxide dioxygenase , pyruvate oxidase , D-lactate dehydrogenase , dihydropteridine reductase , D-alanine:quinone oxidoreductase (deaminating) , D-amino-acid:quinone oxidoreductase (deaminating) , acetohydroxybutanoate synthase , acetolactate synthase , 2-oxoglutarate dehydrogenase , ring 1,2-phenylacetyl-CoA epoxidase , L-2-hydroxyglutarate oxidase , isopentenyl-diphosphate:NAD(P)+ oxidoreductase , dimethylallyl-diphosphate:NAD(P)+ oxidoreductase , acetolactate synthase , acetohydroxybutanoate synthase , pyridine nucleotide transhydrogenase , crotonobetainyl-CoA reductase , acetohydroxybutanoate synthase , 5,10-methylenetetrahydrofolate reductase , flavodoxin NADP+ reductase , NADH:flavorubredoxin reductase , 2,4-dienoyl-CoA reductase , acetolactate synthase


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Please cite the following article in publications resulting from the use of EcoCyc: Nucleic Acids Research 41:D605-12 2013
Page generated by SRI International Pathway Tools version 18.5 on Mon Dec 22, 2014, biocyc13.