Exposome-Explorer: show components

PCB-153

ID	1099
Name	PCB-153
Synonyms	2,2',4,4',5,5'-Hexachlorobiphenyl
Structure	MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure Structure for EE001099 (PCB-153) 3D Structure for EE001099 (PCB-153) 37034 -OEChem-09231604223D 22 23 0 0 0 0 0 0 0999 V2000 0.4969 1.9690 -1.9959 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4969 1.9687 1.9961 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7203 -1.9650 1.6324 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7203 -1.9648 -1.6326 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2213 -0.0209 -0.4739 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.2213 -0.0209 0.4739 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7218 0.0345 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 0.0344 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3689 0.8721 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3689 0.8720 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4648 -0.8348 0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 -0.8347 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -0.8663 0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -0.8663 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 0.8404 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 0.8403 1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5021 -0.0288 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5021 -0.0288 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 -1.4894 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 -1.4892 -1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2634 1.4942 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2634 1.4941 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 37034 > <PUBCHEM_CONFORMER_RMSD> 0.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 2 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 20 1 -0.18 10 0.18 11 -0.15 12 -0.15 13 0.18 14 0.18 15 -0.15 16 -0.15 17 0.18 18 0.18 19 0.15 2 -0.18 20 0.15 21 0.15 22 0.15 3 -0.18 4 -0.18 5 -0.18 6 -0.18 9 0.18 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 1 > <PUBCHEM_PHARMACOPHORE_FEATURES> 2 6 7 9 11 13 15 17 rings 6 8 10 12 14 16 18 rings > <PUBCHEM_HEAVY_ATOM_COUNT> 18 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 000090AA00000001 > <PUBCHEM_MMFF94_ENERGY> 48.5235 > <PUBCHEM_FEATURE_SELFOVERLAP> 10.149 > <PUBCHEM_SHAPE_FINGERPRINT> 10062212 137 18342174496965668663 10366900 7 15626228991676293406 11578080 2 18122307325116906244 11582403 64 15654053490753886549 12236239 1 18410580582221224298 12553582 1 18060414733710752123 13134695 92 17748825232815845868 13140716 1 17605285180196079024 13911987 19 16879378730009369334 14115302 16 18341056310745833807 14178342 30 16629982017855622287 14576447 43 18188764071621441214 14787075 74 18056471983919212384 15375358 24 16008754623741034656 15375462 189 18412263956082679651 16945 1 18410848863058486085 17357779 13 17168137927803033116 1813 80 18116442440469332662 18175812 5 15770055042532780968 18186145 218 15285351782625766143 200 152 18186519903695095713 20279233 1 15575003861919805250 20600515 1 17346612880117387049 20645477 70 17168141200774263058 22112679 90 18270981105654873405 2297311 6 17418107507095532692 23175994 123 16660371371952740020 232386 152 18060139890115710133 23366157 5 17983281918637705201 23402539 116 17203608173004958573 23419403 2 17696423629480392413 23557571 272 16845302600499543953 23559900 14 17274833406839179108 2748010 2 17243886724673775724 474 4 18118127098452337740 5281201 14 15936408927054204231 5902787 121 17774436208880373035 77492 1 18410580586516191589 81228 2 16844195397017734353 90316 7 17988923319177941225 9999458 23 14764343839092856452 > <PUBCHEM_SHAPE_MULTIPOLES> 381.65 9.01 1.85 1.78 0 0.01 0 -3.35 0 0 0 0 0.44 -2.27 > <PUBCHEM_SHAPE_SELFOVERLAP> 773.574 > <PUBCHEM_SHAPE_VOLUME> 215.2 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Description
Classification	POLLUTION > Polychlorinated biphenyls (PCB) > Hexachlorobiphenyls
CAS number	35065-27-1
PubChem ID	37034
ChEBI ID	34202
FooDB ID
HMDB ID

Title	First author	Year
Dioxins, polychlorinated biphenyls, methyl mercury and omega-3 polyunsaturated fatty acids as biomarkers of fish consumption	Turunen	2010
Concentrations of polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and polychlorinated biphenyls in blood and breast milk collected from pregnant women in Sapporo City, Japan	Todaka	2011
Distribution of PCDD/Fs, PCBs, PBDEs and organochlorine residues in children’s blood from Zhejiang, China	Shen	2010
Relationship between the concentrations of polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and polychlorinated biphenyls in maternal blood and those in breast milk	Todaka	2010
PCDD/F and PCB in human serum of differently exposed population groups of an Italian city	Turrio-Baldassarri	2008
PCDD/F and dioxin-like PCB in human blood and milk from German mothers	Wittsiepe	2007
Concentrations of polybrominated diphenyl ethers, polychlorinated dibenzo-p-dioxins and dibenzofurans, and polychlorinated biphenyls in human blood samples from Korea	Kim	2005
Prenatal exposure to polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) may influence birth weight among infants in a Swedish cohort with background exposure: a cross-sectional study	Lignell	2013
Plasma concentrations of selected organobromine compounds and polychlorinated biphenyls in postmenopausal women of Québec, Canada	Sandanger	2007
Distribution of polybrominated diphenyl ethers (PBDEs) and other persistent organic pollutants in human serum from Greece	Kalantzi	2011
High concentrations of polybrominated diphenylethers (PBDEs) in breast adipose tissue of California women	Petreas	2011
Polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) in breast milk from the Pacific Northwest	She	2007
Hydroxy-PCBs, PBDEs, and HBCDDs in serum from an elderly population of Swedish fishermen's wives and associations with bone density	Weiss	2006
Assessment of the levels of persistent organic pollutants and 1-hydroxypyrene in blood and urine samples from Mexican children living in an endemic malaria area in Mexico	Trejo-Acevedo	2012
Biological monitoring of indoor-exposure to dioxin-like and non-dioxin-like polychlorinated biphenyls (PCB) in a public building	Schettgen	2012
Changes in serum concentrations of polychlorinated biphenyls (PCBs), hydroxylated PCB metabolites and pentachlorophenol during pregnancy	Glynn	2011
Background levels of polychlorinated biphenyls in the population of the Canary Islands (Spain)	Henriquez-Hernandez	2011
A cohort study of developmental polychlorinated biphenyl (PCB) exposure in relation to post-vaccination antibody response at 6-months of age	Jusko	2010
Caffeine N3-demethylation (CYP1A2) in a population with an increased exposure to polychlorinated biphenyls	Petersen	2006
Assessment of reference values for polychlorinated biphenyl concentration in human blood	Apostoli	2005
Biomonitoring of persistent organochlorine pesticides, PCDD/PCDFs and dioxin-like PCBs in blood of children from South West Germany (Baden-Wuerttemberg) from 1993 to 2003	Link	2005
Blood pressure in relation to concentrations of PCB congeners and chlorinated pesticides	Goncharov	2011
Associations between prenatal exposure to polychlorinated biphenyls and neonatal thyroid-stimulating hormone levels in a Mexican-American population, Salinas Valley, California	Chevrier	2007
Breast adipose tissue concentrations of polychlorinated biphenyls and other organochlorines and breast cancer risk	Aronson	2000
Assessment of exposure to polychlorinated biphenyls: analysis of selected isomers in blood and adipose tissue	Luotamo	1991
Analysis of hydroxylated metabolites of PCBs (OH-PCBs) and other chlorinated phenolic compounds in whole blood from Canadian inuit	Sandau	2000
Exposure to polychlorinated biphenyl (PCB) congeners measured shortly after giving birth and subsequent risk of maternal breast cancer before age 50	Cohn	2012
Concentrations of organochlorine pesticides and polychlorinated biphenyls in human serum and adipose tissue from Bolivia	Arrebola	2012
Determinants of serum concentrations of 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene and polychlorinated biphenyls among French women in the CECILE study	Bachelet	2011
Half-lives of serum PCB congener concentrations in environmentally exposed early adolescents	Wimmerova	2011
In utero exposure to polychlorinated biphenyls and reduced neonatal physiological development from Guiyu, China	Wu	2011
Distribution of PCBs, their hydroxylated metabolites, and other phenolic contaminants in human serum from two European countries	Dirtu	2010
Concentrations of polychlorinated biphenyls in blood of Yusho patients over 35 years after the incident	Todaka	2009
Distribution of organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in human serum from urban areas in Korea	Kang	2008
Distribution of polychlorinated biphenyls and organochlorine pesticides in human breast milk from various locations in Tunisia: Levels of contamination, influencing factors, and infant risk assessment	Ennaceur	2008
Effects of exposure to polychlorinated biphenyls and organochlorine pesticides on thyroid function during pregnancy	Chevrier	2008
Determinants of prenatal exposure to polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) in an urban population	Herbstman	2007
Congener-specific approach to human PCB concentrations by serum analysis	Park	2007
Environmental and occupational exposures and serum PCB concentrations and patterns among Mohawk men at Akwesasne	Fitzgerald	2007
High serum PCBs are associated with elevation of serum lipids and cardiovascular disease in a Native American population	Goncharov	2008
Dioxin-like and non-dioxin-like PCBs in human serum of Slovak population	Jursa	2006
Concentrations of polybrominated diphenyl ethers, polychlonnated biphenyls, and polychlorobiphenylols in serum from pregnant Faroese women and their children 7 years later	Fangstrom	2005
Concentrations of polychlorinated biphenyls in blood and the risk for testicular cancer	Hardell	2004
Fetal exposure to PCBs and their hydroxylated metabolites in a Dutch cohort	Soechitram	2004
Human exposure to polychlorinated biphenyls in a residential community	Orloff	2003
In utero exposure to background levels of polychlorinated biphenyls and cognitive functioning among school-age children	Gray	2005
Congener-specific analysis of polychlorinated biphenyl in human blood from Japanese	Hirai	2005
Environmental exposure to PCBs and cancer incidence in eastern Slovakia	Pavuk	2004
Distribution of PCBs and organochlorine pesticides in umbilical cord and maternal serum	Covaci	2002
Exposure patterns of UV filters, fragrances, parabens, phthalates, organochlor pesticides, PBDEs, and PCBs in human milk: Correlation of UV filters with use of cosmetics	Schlumpf	2010
Birth delivery mode modifies the associations between prenatal polychlorinated biphenyl (PCB) and polybrominated diphenyl ether (PBDE) and neonatal thyroid hormone levels	Herbstman	2008
Serum levels of polybrominated diphenyl ethers (PBDEs) in foam recyclers and carpet installers working in the United States	Stapleton	2008
Polybrominated diphenyl ether levels in the blood of pregnant women living in an agricultural community in California	Bradman	2007
Polybrominated diphenyl ethers in South China maternal and fetal blood and breast milk	Bi	2006
Distribution of polychlorinated biphenyls, organochlorine pesticides and polybrominated diphenyl ethers in human umbilical cord serum, maternal serum and milk from Wielkopolska region, Poland	Jaraczewska	2006

Analytical method
GC-HRMS
GC-ID-HRMS
GC-MS
GC-MS/MS
GC-ECD
GC-ID-MS

Biospecimen
Serum, fasting
Blood, unspecified
Breast milk
Serum, unspecified
Plasma, unspecified
Adipose tissue, breast
Cord serum
Whole blood, unspecified
Adipose tissue, unspecified
Adipose tissue, abdomen
Cord plasma
Serum, non-fasting

Cohort
Fishermen study
Hokkaido Study on Environment and Children's Health
POPUP (Persistent Organic Pollutants in Uppsala Primiparas)
Professional fishermen from the Swedish east cost
ENCA (Canary Islands Nutrition Survery)
Sentinel Public Health Offices
CHAMACOS (Center for the Health Assessment of Mothers and Children of Salinas)
Santé Quebec Health Survey
CHDS (Child Health and Development Studies)
CECILE
Yusho victims
Health Assessment Study of Seoul Citizen
Collaborative Perinatal Project

Biomarker

Biomarker concentration values

ID	Parent ID	Depth	Subject group	Population	Country	Country code	Cohort	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Measurement size	Detected (nb)	Detected (%)	Detected only?	Arithmethic mean	Arithmethic SD	Geometric mean	Geometric SD	Min	Min (detected)	Percentile_05	Percentile_10	Percentile_25	Median	Percentile_75	Percentile_90	Percentile_95	Max	Interquartile range	Mean 95% CI lower	Mean 95% CI upper	GMean 95% CI lower	GMean 95% CI upper	Unit	Converted arithmetic mean	Converted geometric mean	Converted median	Converted unit	Adjustment type	Adjusted on	Regressed on	Expressed as	Publication

Intake values

No data available

Correlation values

PCB-153 intakes correlated with excretions
PCB-153 excretions correlated with intakes

No data available

ID	Intake ID	Excretion ID	Subject group	Population	Country	Country code	Cohort	Intake Time definition	Intake Assessment	Intake	Intake detail	Supplement intakes included?	Intake Arithmetic mean	Intake Geometric mean	Intake Median	Intake Unit	Intake Adjusted on	Biomarker Time definition	Biospecimen	Analytical method	Biomarker	Biomarker detail	Biomarker Arithmetic mean	Biomarker Geometric mean	Biomarker Median	Biomarker Unit	Biomarker Adjusted on	Correlation size	Correlation type	Correlation value	Correlation 95% CI lower	Correlation 95% CI upper	Correlation p-value	Significant?	Measurement adjustment	Deattenuated?	Covariates	Publication

Metabolomics data

No data available

Reproducibility values

No data available

PCB-153

Structure for EE001099 (PCB-153)

3D Structure for EE001099 (PCB-153)

Biomarker measurements

Biomarker concentration values

Intake values

Correlation values

Metabolomics data

Reproducibility values