preQ1 (PAMDB120135)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120135
Identification
Name: preQ1
Description:Conjugate acid of 7-aminomethyl-7-deazaguanine.
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 7-aminomethyl-7-deazaguanine7-aminomethyl-7-carbaguanine
Chemical Formula: C7H10N5O
Average Molecular Weight: 180.189
Monoisotopic Molecular Weight: 180.08853
InChI Key: MEYMBLGOKYDGLZ-UHFFFAOYSA-O
InChI:InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)/p+1
CAS number: Not Available
IUPAC Name:(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methanaminium
Traditional IUPAC Name: Not Available
SMILES:C([N+])C2(C1(C(=O)NC(N)=NC=1NC=2))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Pyrrolopyrimidines
Sub ClassPyrrolo[2,3-d]pyrimidines
Direct Parent Pyrrolo[2,3-d]pyrimidines
Alternative Parents
Substituents Not Available
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight180.191 g/molPubChem
XLogP3-AA-1.9 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count1 PubChem
Rotatable Bond Count1 PubChem
Exact Mass180.089 g/molPubChem
Monoisotopic Mass180.089 g/molPubChem
Topological Polar Surface Area111 A^2PubChem
Heavy Atom Count13 PubChem
Formal Charge1 PubChem
Complexity264 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
preQ1 + NADP+ → 7-Cyano-7-carbaguanine + NADPH + Hydrogen ion
Guanine34-in-tRNAs + preQ1 → tRNA-with-7-aminomethyl-7-deazaguanine + Guanine
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI58703
PUBCHEM25202264