Exposome-Explorer: show components

PCB-183

ID	1125
Name	PCB-183
Synonyms	2,2',3,4,4',5',6-Heptachlorobiphenyl
Structure	MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure Structure for EE001125 (PCB-183) 3D Structure for EE001125 (PCB-183) 40476 -OEChem-09231606113D 22 23 0 0 0 0 0 0 0999 V2000 -0.7212 -2.5276 0.2167 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 2.8907 -0.2847 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 0.3429 2.7851 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8609 -2.2877 -0.0311 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7619 -0.3794 -2.5210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1679 0.5974 -0.4012 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 -0.2279 0.3397 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 0.1775 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 0.0804 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4743 -0.9691 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 1.4292 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4146 0.1445 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -0.0810 -1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8611 -0.8647 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6636 1.5336 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8982 -0.1784 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8047 0.0472 1.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4556 0.3868 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -0.1143 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0041 -0.1315 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1267 2.5102 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 0.0972 2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 4 14 1 0 0 0 0 5 16 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 18 2 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 40476 > <PUBCHEM_CONFORMER_RMSD> 0.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 2 1 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 20 1 -0.18 10 0.18 11 0.18 12 0.18 13 -0.15 14 0.18 15 -0.15 16 0.18 17 -0.15 18 0.18 19 0.18 2 -0.18 20 0.15 21 0.15 22 0.15 3 -0.18 4 -0.18 5 -0.18 6 -0.18 7 -0.18 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 1 > <PUBCHEM_PHARMACOPHORE_FEATURES> 2 6 8 10 11 14 15 18 rings 6 9 12 13 16 17 19 rings > <PUBCHEM_HEAVY_ATOM_COUNT> 19 > <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> 00009E1C00000002 > <PUBCHEM_MMFF94_ENERGY> 53.4276 > <PUBCHEM_FEATURE_SELFOVERLAP> 10.149 > <PUBCHEM_SHAPE_FINGERPRINT> 10498660 4 18408040702024451981 11796584 16 18341611482545936038 12236239 1 17530680991824720756 13140716 1 18337391668972218881 13538477 17 17967243213394216347 13544592 145 17988932140987817967 13544653 18 17203616981645103556 13760787 19 17022900151677982243 14386348 63 17918556825457371910 15342168 16 14635737309281052030 1601671 61 18262796247420896253 16752209 62 18188475982780157987 16945 1 18411987927066425741 17804303 29 18341890835760517827 18186145 218 18059583446689653938 192875 21 17095246899952130812 19422 9 17530682125648900147 19862831 5 17603304855820528238 200 152 16515680031025156941 20279233 1 17918275350586221318 20510252 161 18269270175336163857 20600515 1 18412822486499597973 20645476 183 17530684325120541995 20645477 70 16486977237375140652 20871999 31 18336275642467235223 23175994 123 17203611488566730504 23402539 116 18411409626931621822 23526113 38 17632573799754876722 23557571 272 18272930479957954152 23559900 14 18342743988222600550 23598291 2 17240480308010785191 2748010 2 18120082030394983781 350125 39 17689155608887021845 474 4 16516260651086016300 59755656 215 18264767670893844470 77492 1 17458623402071197608 8272917 22 16009304284854567729 > <PUBCHEM_SHAPE_MULTIPOLES> 404.1 8.64 2.1 1.75 0.69 0.09 0.44 -1.35 -2.13 -2.23 -0.15 2.15 0.04 0.46 > <PUBCHEM_SHAPE_SELFOVERLAP> 814.269 > <PUBCHEM_SHAPE_VOLUME> 229 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
Description
Classification	POLLUTION > Polychlorinated biphenyls (PCB) > Heptachlorobiphenyls
CAS number	52663-69-1
PubChem ID	40476
ChEBI ID
FooDB ID
HMDB ID

Title	First author	Year
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
Relationship between the concentrations of polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and polychlorinated biphenyls in maternal blood and those in breast milk	Todaka	2010
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
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
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
Exposure to polychlorinated biphenyl (PCB) congeners measured shortly after giving birth and subsequent risk of maternal breast cancer before age 50	Cohn	2012
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
Effects of exposure to polychlorinated biphenyls and organochlorine pesticides on thyroid function during pregnancy	Chevrier	2008
Congener-specific approach to human PCB concentrations by serum analysis	Park	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
Human exposure to polychlorinated biphenyls in a residential community	Orloff	2003
Congener-specific analysis of polychlorinated biphenyl in human blood from Japanese	Hirai	2005
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-MS
GC-ID-MS
GC-ID-HRMS
GC-ECD
GC-MS/MS

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

Cohort
Hokkaido Study on Environment and Children's Health
CHAMACOS (Center for the Health Assessment of Mothers and Children of Salinas)
CHDS (Child Health and Development Studies)
Yusho victims
Health Assessment Study of Seoul Citizen

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

No data available

Reproducibility values

No data available

PCB-183

Structure for EE001125 (PCB-183)

3D Structure for EE001125 (PCB-183)

Biomarker measurements

Biomarker concentration values

Intake values

Correlation values

Reproducibility values