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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-03-07 16:38:32 UTC
Update Date2023-02-21 17:15:56 UTC
HMDB IDHMDB0001891
Secondary Accession Numbers
  • HMDB0002129
  • HMDB01891
  • HMDB02129
Metabolite Identification
Common Namem-Aminobenzoic acid
Descriptionm-Aminobenzoic acid (also known as 3-aminobenzoic acid or MABA) is an organic compound with the molecular formula H2NC6H4CO2H. MABA is a white solid, although commercial samples are often colored. It is only slightly soluble in water. It is soluble in acetone, boiling water, hot alcohol, hot chloroform and ether. It consists of a benzene ring substituted with an amino group and a carboxylic acid. m-Aminobenzoic acid belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. Outside of the human body, m-Aminobenzoic acid has been detected, but not quantified in cow milk. This could make m-aminobenzoic acid a potential biomarker for the consumption of these foods.
Structure
Data?1676999756
Synonyms
ValueSource
3-AminobenzoesaeureChEBI
3-CarboxyanilineChEBI
m-AminobenzoesaeureChEBI
m-CarboxyanilineChEBI
MABAChEBI
m-AminobenzoateGenerator
Meta-aminobenzoic acidMeSH
3-Aminobenzoic acid, monosodium saltMeSH
Aniline-3-carboxylateHMDB
3-AminobenzoateHMDB, Generator
3-Aminobenzoic acidHMDB
Aniline-3-carboxylic acidHMDB
m-AmonibenzoateHMDB
m-Amonibenzoic acidHMDB
m-Aminobenzoic acidChEBI
Chemical FormulaC7H7NO2
Average Molecular Weight137.136
Monoisotopic Molecular Weight137.047678473
IUPAC Name3-aminobenzoic acid
Traditional Namegabaculine
CAS Registry Number99-05-8
SMILES
NC1=CC=CC(=C1)C(O)=O
InChI Identifier
InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChI KeyXFDUHJPVQKIXHO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentAminobenzoic acids
Alternative Parents
Substituents
  • Aminobenzoic acid
  • Benzoic acid
  • Benzoyl
  • Aniline or substituted anilines
  • Amino acid or derivatives
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point173 °CNot Available
Boiling Point352.55 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility5.9 mg/mL at 15 °CNot Available
LogP0.65SANGSTER (1994)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot Available
Normal
      Not Available
details
UrineDetected and Quantified0.07 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB02054
Phenol Explorer Compound IDNot Available
FooDB IDFDB022725
KNApSAcK IDNot Available
Chemspider ID7141
KEGG Compound IDNot Available
BioCyc IDHMDB01891
BiGG IDNot Available
Wikipedia Link3-Aminobenzoic_acid
METLIN ID6374
PubChem Compound7419
PDB IDNot Available
ChEBI ID42682
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1187341
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Wachsman JT: The beneficial effects of dietary restriction: reduced oxidative damage and enhanced apoptosis. Mutat Res. 1996 Feb 19;350(1):25-34. [PubMed:8657188 ]