Record Information
Version1.0
Creation date2015-10-09 22:30:39 UTC
Update date2017-01-19 02:36:23 UTC
FoodComEx IDPC000432
FoodDB RecordFDB022222
Chemical Information
Name3-Hydroxymandelic acid
Descriptionm-hydroxymandelic acid or 3-hyrodxymandelic acid is a metabolic breakdown product of m-octopamine, m-synephrine (phenylephrine) and m-tyrosine. It is a naturally occuring catecholamine metabolite. Concentrations of m-hydroxymandelic acid can be elevated 20- to 30-fold in neuroblastoma patients. [HMDB]
CAS Number17119-15-2
Structure
Thumb
Synonyms
SynonymSource
3-Hydroxymandelatehmdb
3-Hydroxyphenylglycolic acidhmdb
alpha,3-Dihydroxybenzeneacetic acidhmdb
DL-3-Hydroxymandelatehmdb
DL-3-Hydroxymandelic acidhmdb
DL-hydroxy(m-hydroxyphenyl)acetic acidhmdb
Hydroxy(3-hydroxyphenyl)acetic acidhmdb
m-hydroxy-(6CI,7CI,8CI)Mandelatehmdb
m-hydroxy-(6CI,7CI,8CI)Mandelic acidhmdb
M-hydroxymandelatehmdb
M-hydroxymandelic acidhmdb
meta-hydroxymandelic acidhmdb
MHMAhmdb
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChI KeyOLSDAJRAVOVKLG-UHFFFAOYSA-N
Isomeric SMILESOC(C(O)=O)C1=CC(O)=CC=C1
Average Molecular Weight168.1467
Monoisotopic Molecular Weight168.042258744
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub Class1-hydroxy-4-unsubstituted benzenoids
Direct Parent1-hydroxy-4-unsubstituted benzenoids
Alternative Parents
Substituents
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alpha-hydroxy acid
  • Monocyclic benzene moiety
  • Hydroxy acid
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organooxygen compound
  • Aromatic alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 100 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
MetaSci HMDB0000750
Toronto Research Chemicals H944350
Toronto Research Chemicals HMDB0000750