Chemical Component Summary

NameADENINE
Identifiers9H-purin-6-amine
FormulaC5 H5 N5
Molecular Weight135.127
TypeNON-POLYMER
Isomeric SMILESc1[nH]c2c(n1)c(ncn2)N
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count16
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB00173 
NameAdenine
Groups
  • approved
  • nutraceutical
DescriptionA purine base and a fundamental unit of adenine nucleotides.
Synonyms
  • Adenin
  • Adenine
  • Vitamin B4
  • Adenine hydrochloride
  • Adenine sulfate
Brand Names
  • Haemonetics Additive Solution Formula 3 (AS-3)
  • Cpda-1
  • Leucoflex CGP
  • As 3
  • Additive Solution Formula 3 As-3
IndicationFor nutritional supplementation, also for treating dietary shortage or imbalance
Categories
  • Dietary Supplements
  • Heterocyclic Compounds, Fused-Ring
  • Purines
  • Supplements
  • UGT1A1 Inhibitors
CAS number73-24-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Adenine phosphoribosyltransferaseMADSELQLVEQRIRSFPDFPTPGVVFRDISPVLKDPASFRAAIGLLARHL...unknown
DNA-unknown
S-methyl-5'-thioadenosine phosphorylaseMASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKI...unknown
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferaseMQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...unknown
Acetyl-CoA carboxylase 2MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPA...unknown
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 190
ChEMBL CHEMBL226345
ChEBI CHEBI:16708
CCDC/CSD ADNCHG10, JOZZED, COFBUU10, BERNAP
COD 4507489