FAD

FAD synonyms

Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine; Flavitan; Flavine adenosine diphosphate; Adenine-flavin dinucleotide; 1H-Purin-6-amine, flavin dinucleotide; Flamitajin B; Flavin adenine dinucleotide; ADENOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE), 5'-5'-ESTER with RIBOFLAVINE; Flavin adenin dinucleotide [JAN]; Adenine-riboflavine dinucleotide; 1H-Purin-6-amine, flavine dinucleotide

Wikipedia:

Graphical representations:

FAD

View large 3D structure

Molecular Formula: C27H33N9O15P2

Natural Isotopic Abundance Mass: 785.5497420000

Mono-Isotopic Molecular Masses:

  • C12N14: 785.157134458
  • C13N14: 812.247715078
  • C12N15: 794.130448496
  • C13N15: 821.221029117

InChI string: 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,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16-,19-,20-,21-,26-/m1/s1

IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate

PubChem Compound (CID): 8964
KEGG Compound ID: C00016
CAS Registry number: 146-14-5 16426-55-4
ChEBI: 16238
NSC: 112207
Beilstein Handbook Reference: 4-26-00-03632
EINECS: 205-663-1
PDB Compound ID: FAD

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)