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5,6,7,8-tetrahydropteridine - Compound Summary (CID 156)

enzyme cofactor for certain oxidoreductases


Drug and Chemical Information: (Total:1)         

Safety and Toxicology

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Depositor-Supplied Synonyms: (Total: 10)
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Properties Computed from Structure:
Molecular Weight136.15452 [g/mol]
Molecular FormulaC6H8N4
XLogP3-AA0.3
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count0
Tautomer Count3
Exact Mass136.074896
MonoIsotopic Mass136.074896
Topological Polar Surface Area49.8
Heavy Atom Count10
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 5,6,7,8-tetrahydropteridine
Canonical SMILES: C1CNC2=NC=NC=C2N1
InChI: InChI=1S/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)
InChIKey: IDAICLIJTRXNER-UHFFFAOYSA-N


Compound Information:
CID 156   
Create Date: 2004-09-16


Similar Compounds: 45 Links
Similar Conformers: 388 Links    View Conformers


Substance Information:
Substances: 9 Links

Category: [for same structure substances]
Biological Properties: 3 Links
   ChEBI ( 1 )
SID 8144257 - External ID: CHEBI:28889
   DiscoveryGate ( 1 )
SID 8150481 - External ID: 156
   LeadScope ( 1 )
SID 50027275 - External ID: LS-126309

Metabolic Pathways: 3 Links
   BioCyc ( 1 )
SID 2061 - External ID: 5678-TETRAHYDROPTERIDINE
   KEGG ( 2 )
SID 7961 - External ID: C05650
SID 17396592 - External ID: C15600

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID 24438533 - External ID: 151

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 7589338 - External ID: 6917449

Toxicology: 1 Link
   ChemIDplus ( 1 )
SID 729263 - External ID: 010593789

     

2D

3D

Compound ID156
Molecular Weight136.15452 [g/mol]
Molecular FormulaC6H8N4
XLogP3-AA0.3
H-Bond Donor2
H-Bond Acceptor4


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