H2B

2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE

Created: 1999-12-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count3
Bond Count31
Aromatic Bond Count0
2D diagram of H2B
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Chemical Component Summary

Name2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE
SynonymsQUINONOID 7,8-TETRAHYDROBIOPTERIN
Systematic Name (OpenEye OEToolkits)(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-6H-pteridin-4-one
FormulaC9 H13 N5 O3
Molecular Weight239.231
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1N=C(N=C2NCC(N=C12)C(O)C(O)C)N
SMILESCACTVS3.341C[CH](O)[CH](O)[CH]1CNC2=NC(=NC(=O)C2=N1)N
SMILESOpenEye OEToolkits1.5.0CC(C(C1CNC2=NC(=NC(=O)C2=N1)N)O)O
Canonical SMILESCACTVS3.341 C[C@H](O)[C@H](O)[C@H]1CNC2=NC(=NC(=O)C2=N1)N
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O
InChIInChI1.03 InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1
InChIKeyInChI1.03 ZHQJVZLJDXWFFX-RPDRRWSUSA-N

Drug Info: DrugBank

DrugBank IDDB02562 
NameQuinonoid 7,8-Tetrahydrobiopterin
Groups experimental
SynonymsQuinonoid 7,8-Tetrahydrobiopterin
CAS number79647-29-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Phenylalanine-4-hydroxylaseMSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAK...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 135398653, 133246
ChEBI CHEBI:140754, CHEBI:43120