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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-12 22:07:25 UTC
Update Date2023-02-21 17:16:43 UTC
HMDB IDHMDB0003503
Secondary Accession Numbers
  • HMDB03503
Metabolite Identification
Common Name3-(3,4-Dihydroxyphenyl)lactic acid
Description3-(3,4-Dihydroxyphenyl)lactic acid, also known as a-hydroxyhydrocaffeic acid or danshensu, 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. 3-(3,4-Dihydroxyphenyl)lactic acid has been detected, but not quantified in, several different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), domestic pigs (Sus scrofa domestica), and rosemaries (Rosmarinus officinalis). This could make 3-(3,4-dihydroxyphenyl)lactic acid a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on 3-(3,4-Dihydroxyphenyl)lactic acid.
Structure
Data?1676999803
Synonyms
ValueSource
3-(3,4-Dihydroxyphenyl)lactateChEBI
3,4-Dihydroxyphenyllactic acidKegg
3,4-DihydroxyphenyllactateGenerator
2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoateHMDB
2-Hydroxy-3-(3,4-dihydroxyphenyl)propanoic acidHMDB
a-Hydroxyhydrocaffeic acidHMDB
alpha-HydroxyhydrocaffeateHMDB
alpha-Hydroxyhydrocaffeic acidHMDB
DanshensuHMDB
DL-b-(3,4-Dihydroxyphenyl)lactic acidHMDB
DL-beta-(3,4-Dihydroxyphenyl)lactic acidHMDB
(3,4-Dihydroxyphenyl)lactic acidHMDB
3,4-Dihydroxyphenyllactic acid, monosodium salt, (R)-isomerHMDB
3,4-Dihydroxyphenyllactic acid, (+-)-isomerHMDB
3,4-Dihydroxyphenyllactic acid, (R)-isomerHMDB
3,4-Dihydroxyphenyllactic acid, monosodium salt, (+-)-isomerHMDB
Salvianic acid a sodiumHMDB
3,4-Dihydroxyphenyllactic acid, monosodium saltHMDB
2-Hydroxy-3-(3',4'-dihydroxyphenyl)propanoic acidHMDB
Chemical FormulaC9H10O5
Average Molecular Weight198.1727
Monoisotopic Molecular Weight198.05282343
IUPAC Name3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid
Traditional Namedanshensu
CAS Registry Number23028-17-3
SMILES
OC(CC1=CC=C(O)C(O)=C1)C(O)=O
InChI Identifier
InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)
InChI KeyPAFLSMZLRSPALU-UHFFFAOYSA-N
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
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 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
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point480.30 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility1000000 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.045 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.7 g/LALOGPS
logP0.77ALOGPS
logP0.58ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)3.26ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area97.99 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity47.42 m³·mol⁻¹ChemAxon
Polarizability18.4 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+144.39731661259
DarkChem[M-H]-139.35331661259
DeepCCS[M+H]+137.88430932474
DeepCCS[M-H]-134.76330932474
DeepCCS[M-2H]-171.45330932474
DeepCCS[M+Na]+146.99130932474
AllCCS[M+H]+143.832859911
AllCCS[M+H-H2O]+139.732859911
AllCCS[M+NH4]+147.632859911
AllCCS[M+Na]+148.732859911
AllCCS[M-H]-140.432859911
AllCCS[M+Na-2H]-141.032859911
AllCCS[M+HCOO]-141.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-(3,4-Dihydroxyphenyl)lactic acidOC(CC1=CC(O)=C(O)C=C1)C(O)=O3651.8Standard polar33892256
3-(3,4-Dihydroxyphenyl)lactic acidOC(CC1=CC(O)=C(O)C=C1)C(O)=O1924.4Standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acidOC(CC1=CC(O)=C(O)C=C1)C(O)=O1918.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3-(3,4-Dihydroxyphenyl)lactic acid,1TMS,isomer #1C[Si](C)(C)OC(CC1=CC=C(O)C(O)=C1)C(=O)O2058.8Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,1TMS,isomer #2C[Si](C)(C)OC1=CC(CC(O)C(=O)O)=CC=C1O1989.0Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,1TMS,isomer #3C[Si](C)(C)OC1=CC=C(CC(O)C(=O)O)C=C1O2005.7Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,1TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CC1=CC=C(O)C(O)=C12034.9Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TMS,isomer #1C[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C)C(=O)O)C=C1O2031.1Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TMS,isomer #2C[Si](C)(C)OC1=CC(CC(O[Si](C)(C)C)C(=O)O)=CC=C1O2005.3Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)O[Si](C)(C)C2026.4Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CC1=CC=C(O)C(O[Si](C)(C)C)=C11970.2Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TMS,isomer #5C[Si](C)(C)OC1=CC=C(CC(O)C(=O)O)C=C1O[Si](C)(C)C1984.3Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)C(O)CC1=CC=C(O[Si](C)(C)C)C(O)=C11995.2Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)O[Si](C)(C)C2018.2Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,3TMS,isomer #2C[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C)C(=O)O)C=C1O[Si](C)(C)C2030.0Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C1990.2Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,3TMS,isomer #4C[Si](C)(C)OC(=O)C(O)CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C12035.7Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O[Si](C)(C)C2072.5Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CC1=CC=C(O)C(O)=C1)C(=O)O2327.9Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(CC(O)C(=O)O)=CC=C1O2266.4Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O)C(=O)O)C=C1O2278.3Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)CC1=CC=C(O)C(O)=C12284.2Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O2544.2Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O2514.9Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)O[Si](C)(C)C(C)(C)C2496.1Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C12469.6Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C2494.2Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(O)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C12506.6Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O[Si](C)(C)C(C)(C)C2741.6Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(CC(O[Si](C)(C)C(C)(C)C)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C2756.1Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C2693.1Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C12759.7Semi standard non polar33892256
3-(3,4-Dihydroxyphenyl)lactic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)O[Si](C)(C)C(C)(C)C2942.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-00di-1900000000-4429ae1d67802f77638b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid GC-MS (4 TMS) - 70eV, Positivesplash10-00xr-5039800000-242433a4eaee6ec21e372017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 10V, Positive-QTOFsplash10-0ff1-0900000000-c01f6f341825bf4819162017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 20V, Positive-QTOFsplash10-0fl1-0900000000-4ac5f7db2b698bf080632017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 40V, Positive-QTOFsplash10-01bd-9600000000-384a42503ca93dcc002c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 10V, Negative-QTOFsplash10-0002-1900000000-badce4d6b7899f8089c82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 20V, Negative-QTOFsplash10-0fmi-2900000000-73617118e281cf2316d72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 40V, Negative-QTOFsplash10-05fr-7900000000-e5db4da27043d9518b0e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 10V, Positive-QTOFsplash10-0f7t-0900000000-fbdfc4bd0e0f58825d1d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 20V, Positive-QTOFsplash10-0mbi-1900000000-af4798a182a90c46f6582021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 40V, Positive-QTOFsplash10-0a4i-8900000000-65350b26562677521a532021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 10V, Negative-QTOFsplash10-006t-6900000000-8abbd608e7bf3e2494e32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 20V, Negative-QTOFsplash10-00di-6900000000-6bbd4cc7c256919151472021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-(3,4-Dihydroxyphenyl)lactic acid 40V, Negative-QTOFsplash10-00dl-9500000000-52ad949a19acd21974d22021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Fibroblasts
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified6.2 +/- 0.25 uMAdult (>18 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023184
KNApSAcK IDC00031720
Chemspider ID388544
KEGG Compound IDC01207
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6942
PubChem Compound439435
PDB IDNot Available
ChEBI ID17807
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1665481
References
Synthesis ReferencePoljanac, Mirela; Vasic-Racki, Durda; Hadolin, Majda; Bauman, Davor. Enzymatic preparation of Danshensu. Slovenski Kemijski Dnevi, Maribor, Slovenia, Sept. 25-26, 2003 (2003), 239-245.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Li X, Yu C, Cai Y, Liu G, Jia J, Wang Y: Simultaneous determination of six phenolic constituents of danshen in human serum using liquid chromatography/tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Jun 5;820(1):41-7. Epub 2005 Apr 19. [PubMed:15866491 ]
  2. Muskiet FA, Stratingh MC, Stob GJ, Wolthers BG: Simultaneous determination of the four major catecholamine metabolites and estimation of a serotonin metabolite in urine by capillary gas chromatography of their tert-butyldimethylsilyl derivatives. Clin Chem. 1981 Feb;27(2):223-7. [PubMed:7460271 ]
  3. Liu Q, Chao RB: [Determination of danshensu in urine and its pharmacokinetics in human]. Yao Xue Xue Bao. 2003 Oct;38(10):771-4. [PubMed:14730902 ]
  4. Jiang H, Ha T, Wei D: [A study on the mechanism of the biological roles of danshensu on fibroblast]. Zhonghua Shao Shang Za Zhi. 2001 Feb;17(1):36-8. [PubMed:11876909 ]
  5. Hirsimaki H, Kero P, Ekblad H, Scheinin M, Saraste M, Erkkola R: Mode of delivery, plasma catecholamines and Doppler-derived cardiac output in healthy term newborn infants. Biol Neonate. 1992;61(5):285-93. [PubMed:1391254 ]

Enzymes

General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:
SULT2B1
Uniprot ID:
O00204
Molecular weight:
39598.595
Reactions
3-(3,4-Dihydroxyphenyl)lactic acid → 3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic aciddetails
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
3-(3,4-Dihydroxyphenyl)lactic acid → 6-[4-(2-carboxy-2-hydroxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
3-(3,4-Dihydroxyphenyl)lactic acid → 6-[5-(2-carboxy-2-hydroxyethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
3-(3,4-Dihydroxyphenyl)lactic acid → 6-{[3-(3,4-dihydroxyphenyl)-2-hydroxypropanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
General function:
sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines (neurotransmitters such as dopamine, norepinephrine and serotonin) and phenolic and catechol drugs.
Gene Name:
SULT1A3
Uniprot ID:
P0DMM9
Molecular weight:
34195.96
Reactions
3-(3,4-Dihydroxyphenyl)lactic acid → 2-hydroxy-3-[4-hydroxy-3-(sulfooxy)phenyl]propanoic aciddetails