Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110287
Identification
Name: a carboxyl group
Description:Not Available
Structure
Thumb
Synonyms:Not Available
Chemical Formula: CHO2
Average Molecular Weight: 45.018
Monoisotopic Molecular Weight: Not Available
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct Parent Carboxylic acids
Alternative Parents
Substituents
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • monocarboxylic acid anion (CHEBI:15740)
  • a small molecule (FORMATE)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass45.0174ChemAxon
logP-0.9980ChemAxon
H-bond acceptors2ChemAxon
H-bond donors0ChemAxon
Rotatable bonds0ChemAxon
PSA40.1300ChemAxon
RO5 violations0ChemAxon
RO3 violations0ChemAxon
Refractivity7.1395ChemAxon
Atoms4ChemAxon
Rings0ChemAxon
Heavy atoms3ChemAxon
Hydrogen atoms1ChemAxon
Heteroatoms2ChemAxon
N/O atoms2ChemAxon
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: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCycCARBOXYL-GROUP