UCSF

ZINC85425701

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2013 53 No

Popular Name: FAD FAD

Find On: PubMed — Wikipedia — Google

CAS Numbers: 146-14-5 , 84366-81-4

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 088R_FRG3G; 2ENR_CLOTY; 3HBH1_PSEAC; 3HBH2_PSEAC; 3HBH_CORGL; 3HBH_KLEOX; 3HBH_POLNA; 3O1D1_MYCTU; 3O1D2_MYCTU; 3O1D_COMTE; 3O1D_MYCS2; 3O1D_RHOOP; 6HN3M_PSEFL; 6HN3M_PSEPK; ABA2_CAPAN; ABA2_NICPL; ABA2_PRUAR; ABA2_SOLLC; ACAD1_CAEBR; ACAD2_CAEBR; ACAD8_B ChEBI
ALOGPS_SOLUBILITY 4.25e+00 g/l DrugBank-experimental
Patent Database Links EP1826267; US2004176570; US2005089884; US2006148042; US2007248585; WO2006134224 ChEBI
Reactome Database Links REACT_10003; REACT_10074; REACT_1067; REACT_1111; REACT_111106; REACT_111175; REACT_111249; REACT_11128; REACT_11150; REACT_11182; REACT_115885; REACT_1177; REACT_120938; REACT_120997; REACT_121023; REACT_12382; REACT_12415; REACT_12426; REACT_12427; REAC ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Abnormal metabolism in phenylketonuria
alpha-linolenic acid (ALA) metabolism
Beta oxidation of butanoyl-CoA to acetyl-CoA
Beta oxidation of decanoyl-CoA to octanoyl-CoA-CoA
Beta oxidation of hexanoyl-CoA to butanoyl-CoA
Beta oxidation of lauroyl-CoA to decanoyl-CoA-CoA
Beta oxidation of myristoyl-CoA to lauroyl-CoA
Beta oxidation of octanoyl-CoA to hexanoyl-CoA
Beta oxidation of palmitoyl-CoA to myristoyl-CoA
Beta-oxidation of pristanoyl-CoA
Beta-oxidation of very long chain fatty acids
Branched-chain amino acid catabolism
Cell redox homeostasis
Cholesterol biosynthesis
Citric acid cycle (TCA cycle)
Cobalamin (Cbl, vitamin B12) transport and metabolism
Cytosolic iron-sulfur cluster assembly
Defective MTR causes methylmalonic aciduria and homocystinuria type cblG
Defective MTRR causes methylmalonic aciduria and homocystinuria type cblE
Detoxification of Reactive Oxygen Species
Electron transport from NADPH to Ferredoxin
eNOS activation
Enzymatic degradation of dopamine by COMT
Enzymatic degradation of Dopamine by monoamine oxidase
Fatty acid, triacylglycerol, and ketone body metabolism
FMO oxidizes nucleophiles
Glyoxylate metabolism
Heme biosynthesis
Heme synthesis
Interconversion of 2-oxoglutarate and 2-hydroxyglutarate
Interconversion of polyamines
Lysine catabolism
Metabolism of serotonin
Methylation
mitochondrial fatty acid beta-oxidation of unsaturated fatty acids
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2
Norepinephrine Neurotransmitter Release Cycle
NOSIP mediated eNOS trafficking
NOSTRIN mediated eNOS trafficking
Phagosomal maturation (early endosomal stage)
Plasmalogen biosynthesis
Polyamines are oxidized to amines, aldehydes and H2O2 by PAOs
Proline catabolism
Purine catabolism
Pyrimidine catabolism
Pyruvate metabolism
Regulation of pyruvate dehydrogenase (PDH) complex
Respiratory electron transport
Sulfide oxidation to sulfate
Sulfur amino acid metabolism
Synthesis and interconversion of nucleotide di- and triphosphates
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
The tricarboxylic acid cycle
Ubiquinol biosynthesis
VEGFA-VEGFR2 Pathway
VEGFR2 mediated vascular permeability
Vitamin B2 (riboflavin) metabolism
Vitamin C (ascorbate) metabolism
Vitamins B6 activation to pyridoxal phosphate

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.