H4B

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Summary

Name:5,6,7,8-TETRAHYDROBIOPTERIN
Formula:C9 H15 N5 O3
Formal charge:0
Molecular weight:241.247 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one
OpenEye OEToolkits1.5.0(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C
SMILES_CANONICALCACTVS3.341C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(=N2)N
SMILESCACTVS3.341C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O
SMILESOpenEye OEToolkits1.5.0CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
InChIInChI1.03InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1
InChIKeyInChI1.03FNKQXYHWGSIFBK-RPDRRWSUSA-N
167327
PDB entries from 2020-08-05