phenazine-1,6-dicarboxylic acid (PAMDB100046)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB100046
Identification
Name: phenazine-1,6-dicarboxylic acid
Description:A member of the class of phenazines carrying carboxy substituents at positions 1 and 6. A natural product found in Streptomyces species.
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 1,6-Phenazinedicarboxylic acid
  • Phenazine-1,6-dicarboxylic acid
Chemical Formula: C14H8N2O4
Average Molecular Weight: 268.225
Monoisotopic Molecular Weight: 268.048
InChI Key: MJALVONLCNWZHK-UHFFFAOYSA-N
InChI:InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20)
CAS number: Not Available
IUPAC Name:phenazine-1,6-dicarboxylic acid
Traditional IUPAC Name: Not Available
SMILES:C=1C=C2C(=C(C1)C(O)=O)N=C3C(C(=CC=C3)C(O)=O)=N2
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Diazanaphthalenes
Sub ClassBenzodiazines
Direct Parent Phenazines and derivatives
Alternative Parents
Substituents
  • Phenazine
  • Dicarboxylic acid or derivatives
  • Pyrazine
  • Benzenoid
  • Heteroaromatic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Azacycle
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • phenazines (CHEBI:70231)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass268.2235ChemAxon
logP2.1794ChemAxon
H-bond acceptors6ChemAxon
H-bond donors2ChemAxon
Rotatable bonds2ChemAxon
PSA100.3800ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity70.9626ChemAxon
Atoms28ChemAxon
Rings3ChemAxon
Heavy atoms20ChemAxon
Hydrogen atoms8ChemAxon
Heteroatoms6ChemAxon
N/O atoms6ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • Abdelfattah MS, Kazufumi T, Ishibashi M. Izumiphenazines A-C: isolation and structure elucidation of phenazine derivatives from Streptomyces sp. IFM 11204. J Nat Prod. 2010 Dec 27;73(12):1999-2002. Pubmed: 21090727
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    KEGG COMPOUNDC12119