Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
twitter

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


Report Errors or Provide Feedback
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 Wed Dec 17, 2014, BIOCYC13B.