Basic information
- CAS
1910-41-4- Standard SMILES
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2- InChIKey
YPZRHBJKEMOYQH-UYBVJOGSSA-N- Molecular formula
- C27H35N9O15P2
- Average molar mass
- 787.6 g/mol
- Monoisotopic mass
- 787.17278544
Overview
FADH2 is a flavin adenine dinucleotide. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a FADH2(2-).
Names & identifiers
- Preferred name
- Fadh2
- IUPAC
- [[(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-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
- English name
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate
- Molecular formula
- C27H35N9O15P2
- Molecular weight
- 787.57
Names & synonyms
FADH21,5-dihydro-FAD1910-41-4CHEBI:17877DTXSID301343006RefChem:921455DTXCID701771968(((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)((((2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo(g)pteridin-10-yl)-2,3,4-trihydroxypentyl)oxy))phosphinic acidFADHDIHYDROFLAVINE-ADENINE DINUCLEOTIDEDihydro-FADflavin adenine dinucleotide reduced
Show more names
Riboflavin 5'-(trihydrogen diphosphate), 1,5-dihydro-, P'→5'-ester with adenosine[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] hydrogen phosphate
Reduced flavine adenine dinucleotideflavin adenine dinucleotide (reduced)[[(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-dioxo-1,5-dihydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate1,5-dihydro-P-5-ester with adenosineAdenosine 5-(trihydrogen pyrophosphate)Riboflavin 5'-(trihydrogen diphosphate), 1,5-dihydro-, P'-5'-ester with adenosineorb3179611SCHEMBL4363188
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 356 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 13
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,520
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Density
- 2.09 · 2.09±0.1 g/cm3(Predicted)
- pka
- 1.13 · 1.13±0.50(Predicted)
Chemistry & industry
Pharmacology
Metabolite Pathways2-ketoglutarate dehydrogenase complex deficiency
Suppliers1 total
上海楷森生物科技有限公司17558870519 · [email protected]
Additional notes
DefinitionChEBI: FADH2 is a flavin adenine dinucleotide. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a FADH2(2-).
Related reactions
0 records
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Compound notes
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