PT1

PTEROIC ACID

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

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count37
Aromatic Bond Count17
2D diagram of PT1
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Chemical Component Summary

NamePTEROIC ACID
Systematic Name (OpenEye OEToolkits)4-[(2-amino-4-hydroxy-pteridin-6-yl)methylamino]benzoic acid
FormulaC14 H12 N6 O3
Molecular Weight312.283
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3O)N
SMILESCACTVS3.341Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2n1
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O
Canonical SMILESCACTVS3.341 Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2n1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O
InChIInChI1.03 InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKeyInChI1.03 JOAQINSXLLMRCV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04196 
NamePteroic acid
Groups experimental
SynonymsPteroic acid
Categories
  • Biological Factors
  • Heterocyclic Compounds, Fused-Ring
  • Pigments, Biological
  • Pteridines
CAS number119-24-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydropteroate synthaseMCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVR...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 135398749, 95054, 5281044
ChEMBL CHEMBL341824
ChEBI CHEBI:27623, CHEBI:37055, CHEBI:37066