Flavin Adenine Dinucleotide
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Molecular Identity
Flavin Adenine Dinucleotide
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
PubChem CID: 643975
FAD is a flavin adenine dinucleotide in which the substituent at position 10 of the flavin nucleus is a 5'-adenosyldiphosphoribityl group. It has a role as a cofactor, a prosthetic group, a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a vitamin B2 and a flavin adenine dinucleotide. It is a conjugate acid of a FAD(3-).
2D Structure
Properties
C27H33N9O15P2
Molecular Formula
785.50
Molecular Weight
g/mol
785.1571
Exact Mass
Da
-5
XLogP
Drug-like (Lipinski: < 5)
356
TPSA
May have limited oral absorption
9
H-Bond Donors
20
H-Bond Acceptors
1560
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)OIsomeric SMILES
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)OSynonyms(20)
flavin adenine dinucleotide146-14-5Flavin-adenine dinucleotideFlavine-adenine dinucleotideFlavine adenosine diphosphateAdenine-riboflavin dinucleotideRiboflavin 5'-adenosine diphosphateFlavin adenin dinucleotideFlavine adenine dinucleotideZC44YTI8KKCHEBI:16238NSC-112207ADENOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE), 5'-5'-ESTER with RIBOFLAVINE[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphateDTXSID4048307
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Flavin Adenine Dinucleotide
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