BIO

BIOPTERIN

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count2
Bond Count29
Aromatic Bond Count11
2D diagram of BIO
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Chemical Component Summary

NameBIOPTERIN
Systematic Name (OpenEye OEToolkits)2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-3H-pteridin-4-one
FormulaC9 H11 N5 O3
Molecular Weight237.215
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C
SMILESCACTVS3.341C[CH](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1
SMILESOpenEye OEToolkits1.5.0CC(C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O
Canonical SMILESCACTVS3.341 C[C@@H](O)[C@@H](O)c1cnc2N=C(N)NC(=O)c2n1
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O
InChIInChI1.03 InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1
InChIKeyInChI1.03 LHQIJBMDNUYRAM-AWFVSMACSA-N

Drug Info: DrugBank

DrugBank IDDB03886 
NameBiopterin
Groups experimental
DescriptionA natural product that has been considered as a growth factor for some insects. [PubChem]
SynonymsBiopterin
Categories
  • Coenzymes
  • Enzymes and Coenzymes
  • Heterocyclic Compounds, Fused-Ring
  • Pteridines
  • Pterins

Drug Targets

NameTarget SequencePharmacological ActionActions
Sepiapterin reductaseMEGGLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSARNDEALRQL...unknown
6-pyruvoyl tetrahydrobiopterin synthaseMSTEGGGRRCQAQVSRRISFSASHRLYSKFLSDEENLKLFGKCNNPNGHG...unknown
Dihydrofolate reductaseMVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL...unknown
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 135449517, 444475, 5287790
ChEBI CHEBI:41183