Home Other Building Blocks 1-HYDROXYPYRENE-BETA-D-GLUCURONIDE

1-HYDROXYPYRENE-BETA-D-GLUCURONIDE

CAS No.:
154717-05-2
Catalog Number:
AG00AB1W
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00AB1W
Chemical Name:
1-HYDROXYPYRENE-BETA-D-GLUCURONIDE
CAS Number:
154717-05-2
MDL Number:
MFCD04112633
IUPAC Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid
InChI:
InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1
InChI Key:
BUCREAQPYGLZLI-SXFAUFNYSA-N
Properties
Complexity:
626  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
394.105g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
394.379g/mol
Monoisotopic Mass:
394.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Polycyclic aromatic hydrocarbon (1-OHPG and 2-naphthol) and oxidative stress (malondialdehyde) biomarkers in urine among Korean adults and children. International journal of hygiene and environmental health 20120701
Traffic-related air pollution and DNA damage: a longitudinal study in Taiwanese traffic conductors. PloS one 20120101
Spectroelectrochemical sensing of pyrene metabolites 1-hydroxypyrene and 1-hydroxypyrene-glucuronide. Analytical chemistry 20110515
Biomarkers of PAHs exposure in crabs Ucides cordatus: laboratory assay and field study. Environmental research 20100201
Determinants of urinary 1-hydroxypyrene glucuronide in South Korean children. International archives of occupational and environmental health 20090801
Sublethal toxicity and biotransformation of pyrene in Lumbriculus variegatus (Oligochaeta). The Science of the total environment 20090401
The influence of genetic polymorphisms in Ahr, CYP1A1, CYP1A2, CYP1B1, GST M1, GST T1 and UGT1A1 on urine 1-hydroxypyrene glucuronide concentrations in healthy subjects from Rio Grande do Sul, Brazil. Carcinogenesis 20070101
Estimating exposure to polycyclic aromatic hydrocarbons: a comparison of survey, biological monitoring, and geographic information system-based methods. Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20060701
Higher urine 1-hydroxy pyrene glucuronide (1-OHPG) is associated with tobacco smoke exposure and drinking maté in healthy subjects from Rio Grande do Sul, Brazil. BMC cancer 20060101
Sensitive biomarker of polycyclic aromatic hydrocarbons (PAHs): urinary 1-hydroxyprene glucuronide in relation to smoking and low ambient levels of exposure. Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals 20060101
Exposure to traffic exhausts and oxidative DNA damage. Occupational and environmental medicine 20050401
High exposure to polycyclic aromatic hydrocarbons may contribute to high risk of esophageal cancer in northeastern Iran. Anticancer research 20050101
Urinary 1-hydroxypyrene-glucuronide as a biomarker of exposure to various vehicle exhausts among highway toll-station workers in Taipei, Taiwan. Archives of environmental health 20040201
Multiple biomarkers study in painters in a shipyard in Korea. Mutation research 20030909
1-Hydroxypyrene glucuronide as the major aqueous pyrene metabolite in tissue and gut fluid from the marine deposit-feeding polychaete Nereis diversicolor. Environmental toxicology and chemistry 20030501
Urinary PAH metabolites influenced by genetic polymorphisms of GSTM1 in male hospital incinerator workers. Journal of occupational health 20030501
Simultaneous analysis of naphthols, phenanthrols, and 1-hydroxypyrene in urine as biomarkers of polycyclic aromatic hydrocarbon exposure: intraindividual variance in the urinary metabolite excretion profiles caused by intervention with beta-naphthoflavone induction in the rat. Archives of toxicology 20030401
Influence of polymorphism of GSTM1 gene on association between glycophorin a mutant frequency and urinary PAH metabolites in incineration workers. Journal of toxicology and environmental health. Part A 20020301
Influence of GSTM1 genotype on association between aromatic DNA adducts and urinary PAH metabolites in incineration workers. Mutation research 20020215
Identification of 1-hydroxypyrene glucuronide in tissue of marine polychaete Nereis diversicolor by liquid chromatography/ion trap multiple mass spectrometry. Rapid communications in mass spectrometry : RCM 20020101
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