Back to Compounds

2-Hydroxyphloretic acid (PC000473)

Record Information
Version1.0
Creation date2015-10-09 22:30:51 UTC
Update date2017-01-19 02:36:25 UTC
FoodComEx IDPC000473
FoodDB RecordFDB019021
Chemical Information
Name2-Hydroxyphloretic acid
DescriptionHydroxyphenyllactic acid is a tyrosine metabolite. It is carcinogenic. The level of hydroxyphenyllactic acid is elevated in patients with deficiency of the enzyme p-hydroxyphenylpyruvate oxidase (EC 1.14.2.2). (PMID 4720815) [HMDB]
CAS Number306-23-0
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(RS)-3-(4-hydroxyphenyl)lactateHMDB
(RS)-3-(4-hydroxyphenyl)lactic acidHMDB
2-Hydroxy-3-(4-hydroxyphenyl)propanoateChEBI
2-Hydroxy-3-(4-hydroxyphenyl)propanoic acidmanual
2-Hydroxy-3-(P-hydroxyphenyl)propionateGenerator
2-Hydroxy-3-(P-hydroxyphenyl)propionic acidChEBI
2-Hydroxyphloretic acidmanual
3-(4-Hydroxyphenyl)-DL-lactateHMDB
3-(4-Hydroxyphenyl)-DL-lactic acidHMDB
3-(4-Hydroxyphenyl)lactateHMDB
3-(4-Hydroxyphenyl)lactic acidHMDB
3-(4-Hydroxyphenyl)lactic acid, 8CIdb_source
3-(P-Hydroxyphenyl)-lactateHMDB
3-(P-Hydroxyphenyl)-lactic acidHMDB
4-HydroxyphenyllactateGenerator
4-Hydroxyphenyllactic acidChEBI
a,4-DihydroxybenzenepropanoateHMDB
a,4-Dihydroxybenzenepropanoic acidHMDB
a,4-Dihydroxybenzenepropanoic acid, 9CIdb_source
b-(4-Hydroxyphenyl)lactateGenerator
b-(4-Hydroxyphenyl)lactic acidGenerator
b-(P-Hydroxyphenyl)-DL-lactateHMDB
b-(P-Hydroxyphenyl)-DL-lactic acidHMDB
b-(P-Hydroxyphenyl)lactateGenerator
b-(P-Hydroxyphenyl)lactic acidGenerator
beta-(4-Hydroxyphenyl)lactateGenerator
beta-(4-Hydroxyphenyl)lactic acidChEBI
beta-(P-Hydroxyphenyl)-DL-lactateHMDB
beta-(P-Hydroxyphenyl)-DL-lactic acidHMDB
beta-(P-Hydroxyphenyl)lactateGenerator
beta-(P-Hydroxyphenyl)lactic acidChEBI
DL-3-(4-Hydroxyphenyl)lactateHMDB
DL-3-(4-Hydroxyphenyl)lactic acidHMDB
DL-P-HydroxyphenyllactateGenerator
DL-P-Hydroxyphenyllactic acidChEBI
HPLAHMDB
HydroxyphenyllactateHMDB
P-Hydroxyphenyl lactateGenerator
P-Hydroxyphenyl lactic acidChEBI
β-(4-hydroxyphenyl)lactateGenerator
β-(4-hydroxyphenyl)lactic acidGenerator
β-(P-hydroxyphenyl)lactateGenerator
β-(P-hydroxyphenyl)lactic acidGenerator
Chemical FormulaC9H10O4
IUPAC name2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
InChI IdentifierInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
InChI KeyJVGVDSSUAVXRDY-UHFFFAOYSA-N
Isomeric SMILESOC(CC1=CC=C(O)C=C1)C(O)=O
Average Molecular Weight182.1733
Monoisotopic Molecular Weight182.057908808
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassPhenylpropanoic acids
Sub ClassNot Available
Direct ParentPhenylpropanoic acids
Alternative Parents
Substituents
  • 3-phenylpropanoic-acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Alpha-hydroxy acid
  • Monocyclic benzene moiety
  • Benzenoid
  • Hydroxy acid
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organooxygen compound
  • 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 20 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
AKSci V0013
Toronto Research Chemicals H953665