9-Hydroxybenzo[a]pyrene (BioDeep_00000009970)
Secondary id: BioDeep_00001874759
human metabolite Volatile Flavor Compounds
代谢物信息卡片
化学式: C20H12O (268.0888102)
中文名称:
谱图信息:
最多检出来源 Homo sapiens(blood) 0.14%
分子结构信息
SMILES: C1=CC2=C3C(=C1)C=CC4=C5C=C(C=CC5=CC(=C43)C=C2)O
InChI: InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H
描述信息
9-Hydroxybenzo[a]pyrene, also known as benzo[Def]chrysen-9-ol or 9-hydroxybenzo(a)Pyrene, 3H-labeled, is classified as a member of the Benzopyrenes. Benzopyrenes are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. 9-Hydroxybenzo[a]pyrene is considered to be practically insoluble (in water) and acidic
同义名列表
数据库引用编号
11 个数据库交叉引用编号
- ChEBI: CHEBI:34512
- KEGG: C14556
- PubChem: 28598
- HMDB: HMDB0062438
- Metlin: METLIN70151
- ChEMBL: CHEMBL351406
- CAS: 17573-21-6
- PMhub: MS000023799
- PubChem: 17395556
- NIKKAJI: J2.748K
- KNApSAcK: 34512
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
1 个相关的物种来源信息
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。
文献列表
- Fabian C Fischer, Cedric Abele, Luise Henneberger, Nils Klüver, Maria König, Marie Mühlenbrink, Rita Schlichting, Beate I Escher. Cellular Metabolism in High-Throughput In Vitro Reporter Gene Assays and Implications for the Quantitative In Vitro-In Vivo Extrapolation.
Chemical research in toxicology.
2020 07; 33(7):1770-1779. doi:
10.1021/acs.chemrestox.0c00037. [PMID: 32227843] - Frank Onyemauwa, Stephen M Rappaport, Jon R Sobus, Dagmar Gajdosová, Ren'an Wu, Suramya Waidyanatha. Using liquid chromatography-tandem mass spectrometry to quantify monohydroxylated metabolites of polycyclic aromatic hydrocarbons in urine.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences.
2009 Apr; 877(11-12):1117-25. doi:
10.1016/j.jchromb.2009.02.067. [PMID: 19299209] - Carlos Sagredo, Steen Mollerup, Kathleen J Cole, David H Phillips, Heidi Uppstad, Steinar Øvrebø. Biotransformation of benzo[a]pyrene in Ahr knockout mice is dependent on time and route of exposure.
Chemical research in toxicology.
2009 Mar; 22(3):584-91. doi:
10.1021/tx8003664. [PMID: 19216581] - C J Kennedy, Dave Higgs, Keith Tierney. Influence of diet and ration level on benzo[a]pyrene metabolism and excretion in rainbow trout (Oncorhynchus mykiss).
Archives of environmental contamination and toxicology.
2004 Oct; 47(3):379-86. doi:
10.1007/s00244-004-3182-2. [PMID: 15386132] - M Bouchard, C Viau. Urinary excretion of benzo[a]pyrene metabolites following intravenous, oral, and cutaneous benzo[a]pyrene administration.
Canadian journal of physiology and pharmacology.
1997 Mar; 75(3):185-92. doi:
10.1139/cjpp-75-3-185. [PMID: 9164700] - M Bouchard, C Viau. Urinary excretion kinetics of pyrene and benzo(a)pyrene metabolites following intravenous administration of the parent compounds or the metabolites.
Toxicology and applied pharmacology.
1996 Aug; 139(2):301-9. doi:
10.1006/taap.1996.0169. [PMID: 8806846] - R Mikstacka, D Brauze, M Kotecki. [Benzo(a)pyrene metabolism in human fibroblasts--effect of 7,8-benzoflavone].
Folia medica Cracoviensia.
1990; 31(3):131-7. doi:
. [PMID: 2097278] - B Lambert, I Berndtsson, J Lindsten, M Nordenskjöld, S Söderhäll, B Holmstedt, L Palmèr, B Jernström, L Marsk. Smoking and sister chromatid exchange.
Progress in clinical and biological research.
1982; 109(?):401-14. doi:
NULL. [PMID: 6891965]