| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:42:27 UTC |
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| Update Date | 2020-04-22 15:07:06 UTC |
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| BMDB ID | BMDB0001197 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | FADH |
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| Description | Fadh, also known as Fadh or fadh, belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions. Fadh is possibly soluble (in water) and a strong basic compound (based on its pKa). Fadh exists in all living species, ranging from bacteria to humans. In cattle, fadh is involved in the metabolic pathway called the LPS and citrate signaling and inflammation pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1,5-Dihydro-fad | ChEBI | | DIHYDROFLAVINE-adenine dinucleotide | ChEBI | | Flavin adenine dinucleotide (reduced) | ChEBI | | 1,5-Dihydro-p-5-ester with adenosine | HMDB | | 1,5-Dihydro-riboflavin 5'-(trihydrogen diphosphate) p'->5'-ester with adenosine | HMDB | | Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with 5,10-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)alloxazine | HMDB | | Adenosine 5'-(trihydrogen pyrophosphate), 5'->5'-ester with 5,10-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)alloxazine | HMDB | | Adenosine 5'-{3-[D-ribo-5-(7,8-dimethyl-2,4-dioxo-1,2,3,4,5,10-tetrahydrobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen diphosphate} | HMDB | | Adenosine 5-(trihydrogen pyrophosphate) | HMDB | | Adenosine pyrophosphate 5'-5'-ester with 5,10-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)alloxazine | HMDB | | Adenosine pyrophosphate, 5'-5'-ester with 5,10-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)alloxazine | HMDB | | Adenosine pyrophosphate, 5'->5'-ester with 5,10-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)alloxazine | HMDB | | Benzo[GR]pteridine riboflavin 5'-(trihydrogen diphosphate) deriv | HMDB | | Benzo[g]pteridine riboflavin 5'-(trihydrogen diphosphate) deriv | HMDB | | Dihydro-fad | HMDB | | FADH2 | HMDB | | FDA | HMDB | | Flavin adenine dinucleotide reduced | HMDB | | Reduced flavine adenine dinucleotide | HMDB |
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| Chemical Formula | C27H35N9O15P2 |
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| Average Molecular Weight | 787.5656 |
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| Monoisotopic Molecular Weight | 787.172784519 |
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| IUPAC Name | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(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}(hydroxy)phosphoryl)oxy]phosphinic acid |
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| Traditional Name | fadh(.) |
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| CAS Registry Number | 1910-41-4 |
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| SMILES | CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=C(N2)C(=O)NC(=O)N1 |
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| InChI Identifier | InChI=1S/C27H35N9O15P2/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/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 |
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| InChI Key | YPZRHBJKEMOYQH-UYBVJOGSSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Flavin nucleotides |
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| Sub Class | Not Available |
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| Direct Parent | Flavin nucleotides |
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| Alternative Parents | |
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| Substituents | - Flavin nucleotide
- Purine ribonucleoside diphosphate
- Purine ribonucleoside monophosphate
- Flavin
- Pentose phosphate
- Pentose-5-phosphate
- Alkyldiarylamine
- Glycosyl compound
- N-glycosyl compound
- 6-aminopurine
- Organic pyrophosphate
- Pentose monosaccharide
- Pteridine
- Monosaccharide phosphate
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Monoalkyl phosphate
- Pyrimidone
- Imidolactam
- Benzenoid
- Phosphoric acid ester
- Organic phosphoric acid derivative
- N-substituted imidazole
- Monosaccharide
- Pyrimidine
- Alkyl phosphate
- Azole
- Heteroaromatic compound
- Tetrahydrofuran
- Imidazole
- Vinylogous amide
- Urea
- Lactam
- Secondary alcohol
- Secondary amine
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Polyol
- Primary amine
- Amine
- Alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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