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CID 68633080

PubChem CID: 68633080

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Compound Synonyms PD154745
Topological Polar Surface Area 322.0
Hydrogen Bond Donor Count 8.0
Inchi Key ZSIFYVSPMACPJY-UHFFFAOYSA-N
Rotatable Bond Count 0.0
State Solid
Substituent Name 6-aminopurine, Aminopyrimidine, Imidolactam, Pyrimidine, Primary aromatic amine, Heteroaromatic compound, Imidazole, Azole, Azacycle, Hydrocarbon derivative, Primary amine, Organonitrogen compound, Amine, Aromatic heteropolycyclic compound
Synonyms 1,6-Dihydro-6-iminopurine, 1h-purin-6-amine, 1H-Purin-6-amine (9CI), 1H-Purin-6-amine, 9CI, 1H-Purine-6-amine, 1H-Purine, 6-amino, 1H-Purine, 6-amino-, 2-aminopurine, 2'-DEOXY-ADENOSINE-3'-5'-DIPHOSPHATE, 3, 6-Dihydro-6-iminopurine, 3,6-Dihydro-6-iminopurine, 4, Vitamin B, 6-Amino-1H-purine, 6-Amino-3H-purine, 6-Amino-7H-purine, 6-Amino-9H-purine, 6-amino-Purine, 6-Aminopurine, 7H-Purin-6-amine, 9H-Purin-6-amine, 9H-Purin-6-yl-amin, 9H-purin-6-ylamine, 9H-Purine-6-amine, 9H-Purine, 1, 6-dihydro-6-imino-, 9H-Purine, 1,6-dihydro-6-imino-, A, ade, adeninimine, ABG, ADE, Adenin, Adenine (8CI), Adenine (jan/usp), Adenine (van ), Adenine (van), Adenine [jan], Adenine-8-14C, Adenine-ring, Adeninimine, ANE, ANP, B 4, Vitamin, Leuco-4, Leucon, Leucon (TN), Pedatisectine b, Purine, 6-amino-, Vitamin B 4, Vitamin B4
Heavy Atom Count 40.0
Pathway Kegg Map Id map00230
Compound Name CID 68633080
Kingdom Organic compounds
Description Widespread throughout animal and plant tissue, purine components of DNA, RNA, and coenzymes. Vitamin Adenine (sometimes known as vitamin B4) combines with the sugar ribose to form adenosine, which in turn can be bonded with from one to three phosphoric acid units, yielding AMP, ADP and ATP . These adenine derivatives perform important functions in cellular metabolism. Adenine is one of four nitrogenous bases utilized in the synthesis of nucleic acids. A modified form of adenosine monophosphate (cyclic AMP) is an imporant secondary messenger in the propagation of many hormonal stimuli. Adenine is an integral part of the structure of many coenzymes. Adenosine (adenine with a ribose group) causes transient heart block in the AV node of the heart. In individuals suspected of suffering from a supraventricular tachycardia (SVT), adenosine is used to help identify the rhythm. Certain SVTs can be successfully terminated with adenosine., Adenine forms adenosine, a nucleoside, when attached to ribose, and deoxyadenosine when attached to deoxyribose. It forms adenosine triphosphate (ATP), a nucleotide, when three phosphate groups are added to adenosine. Adenosine triphosphate is used in cellular metabolism as one of the basic methods of transferring chemical energy between chemical reactions., Adenine is a nucleobase (a purine derivative) with a variety of roles in biochemistry including cellular respiration, in the form of both the energy-rich adenosine triphosphate (ATP) and the cofactors nicotinamide adenine dinucleotide (NAD) and flavin adenine dinucleotide (FAD), and protein synthesis, as a chemical component of DNA and RNA. The shape of adenine is complementary to either thymine in DNA or uracil in RNA., Adenine is a purine base. Adenine is found in both DNA and RNA. Adenine is a fundamental component of adenine nucleotides. Adenine forms adenosine, a nucleoside, when attached to ribose, and deoxyadenosine when attached to deoxyribose, Adenine is one of the two purine nucleobases (the other being guanine) used in forming nucleotides of the nucleic acids. In DNA, adenine binds to thymine via two hydrogen bonds to assist in stabilizing the nucleic acid structures. In RNA, which is used in the cytoplasm for protein synthesis, adenine binds to uracil., In older literature, adenine was sometimes called Vitamin B4. It is no longer considered a true vitamin or part of the Vitamin B complex. However, two B vitamins, niacin and riboflavin, bind with adenine to form the essential cofactors nicotinamide adenine dinucleotide (NAD) and flavin adenine dinucleotide (FAD), respectively. Hermann Emil Fischer was one of the early scientists to study Adenine., it forms adenosine triphosphate (ATP), a nucleotide, when three phosphate groups are added to adenosine. Adenosine triphosphate is used in cellular metabolism as one of the basic methods of transferring chemical energy between chemical reactions., Purine inborn errors of metabolism (IEM) are serious hereditary disorders, which should be suspected in any case of neonatal fitting, failure to thrive, recurrent infections, neurological deficit, renal disease, self-mutilation and other manifestations. Investigation usually starts with uric acid (UA) determination in urine and plasma. (OMIM 300322, 229600, 603027, 232400, 232600, 232800, 201450, 220150, 232200, 162000, 164050, 278300). (PMID: 17052198, 17520339).
Exact Mass 540.218
Formal Charge 0.0
Monoisotopic Mass 540.218
Isotope Atom Count 0.0
Molecular Complexity 127.0
Hydrogen Bond Acceptor Count 16.0
Molecular Weight 540.5
Database Name fooddb_chem_all;pubchem
Covalent Unit Count 4.0
Enzyme Uniprot Id Q13126, P07741, Q9BY49, Q14542, Q9BZD2, P00491
Defined Atom Stereocenter Count 0.0
Iupac Name 7H-purin-6-amine
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Class Imidazopyrimidines
Inchi InChI=1S/4C5H5N5/c4*6-4-3-5(9-1-7-3)10-2-8-4/h4*1-2H,(H3,6,7,8,9,10)
Smiles C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N
Superclass Organoheterocyclic compounds
Defined Bond Stereocenter Count 0.0
Subclass Purines and purine derivatives
Molecular Formula C20H20N20

  • 1. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Beta Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Cicer Arietinum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Malus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Pachyrhizus Erosus (Plant) Rel Props:Source_db:fooddb_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all
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