Benzo[a]pyrene-4,5-oxide (BioDeep_00000010186)
Secondary id: BioDeep_00001871939
human metabolite
代谢物信息卡片
化学式: C20H12O (268.0888)
中文名称:
谱图信息:
最多检出来源 Homo sapiens(plant) 34.39%
分子结构信息
SMILES: C1=CC=C2C3=C4C(=CC2=C1)C5C(O5)C6=CC=CC(=C64)C=C3
InChI: InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H
描述信息
This compound belongs to the family of Chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.
D009676 - Noxae > D002273 - Carcinogens
同义名列表
9 个代谢物同义名
18-oxahexacyclo[10.7.2.0³,⁸.0⁹,²⁰.0¹⁶,²¹.0¹⁷,¹⁹]henicosa-1,3,5,7,9(20),10,12(21),13,15-nonaene; 3b,4a-Dihydrobenzo(1,2)pyreno(4,5-b)oxirene; Benzo(a)pyrene 4,5-epoxide, (+-)-isomer; 4,5-Dihydro-4,5-epoxybenzo(a)pyrene; Benzo(a)pyrene 4,5-epoxide; Benzo[a]pyrene-4,5-epoxide; Benzo(a)pyrene 4,5-oxide; Benzo[a]pyrene-4,5-oxide; Benzo[a]pyrene-4,5-oxide
数据库引用编号
13 个数据库交叉引用编号
- ChEBI: CHEBI:34560
- KEGG: C14851
- PubChem: 37786
- HMDB: HMDB0060091
- Metlin: METLIN70356
- CAS: 72010-13-0
- CAS: 37574-47-3
- CAS: 64437-52-1
- CAS: 72010-12-9
- PMhub: MS000024040
- PubChem: 17395849
- NIKKAJI: J9.301G
- KNApSAcK: 34560
分类词条
相关代谢途径
BioCyc(0)
PlantCyc(0)
代谢反应
32 个相关的代谢反应过程信息。
Reactome(30)
- Metabolism:
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-one-CoA + CoA-SH ⟶ choloyl-CoA + propionyl CoA - Biological oxidations:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Phase I - Functionalization of compounds:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Metabolism:
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-one-CoA + CoA-SH ⟶ choloyl-CoA + propionyl CoA - Biological oxidations:
H+ + Oxygen + TPNH + aflatoxin B1 ⟶ AFXBO + H2O + TPN - Phase I - Functionalization of compounds:
CH3CHO + H2O + NAD ⟶ CH3COO- + H+ + NADH - Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA - Biological oxidations:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Phase I - Functionalization of compounds:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA - Biological oxidations:
CH3CHO + H2O + NAD ⟶ CH3COO- + H+ + NADH - Phase I - Functionalization of compounds:
CH3CHO + H2O + NAD ⟶ CH3COO- + H+ + NADH - Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA - Biological oxidations:
H+ + Oxygen + TPNH + progesterone ⟶ 11DCORST + H2O + TPN - Phase I - Functionalization of compounds:
H+ + Oxygen + TPNH + progesterone ⟶ 11DCORST + H2O + TPN - Metabolism:
3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-one-CoA + CoA-SH ⟶ choloyl-CoA + propionyl CoA - Biological oxidations:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Phase I - Functionalization of compounds:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA - Biological oxidations:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Phase I - Functionalization of compounds:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Metabolism:
2MACA-CoA + CoA ⟶ Ac-CoA + PROP-CoA - Biological oxidations:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Phase I - Functionalization of compounds:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Metabolism:
ATP + PROP-CoA + carbon dioxide ⟶ ADP + MEMA-CoA + Pi - Biological oxidations:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Phase I - Functionalization of compounds:
11DCORT + H+ + Oxygen + TPNH ⟶ CORT + H2O + TPN - Metabolism:
1-3-oxo-THA-CoA + CoA-SH ⟶ DHA-CoA + propionyl CoA - Biological oxidations:
H+ + Oxygen + TPNH + aflatoxin B1 ⟶ AFXBO + H2O + TPN - Phase I - Functionalization of compounds:
H+ + Oxygen + TPNH + aflatoxin B1 ⟶ AFXBO + H2O + TPN
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(2)
- Glutathione Metabolism III:
-Glutamylcysteine + Adenosine triphosphate + Glycine ⟶ Adenosine diphosphate + Glutathione + Hydrogen Ion + Phosphate - Glutathione Metabolism III:
Hydrogen Ion + NADPH + Oxidized glutathione ⟶ Glutathione + NADP
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
- L A Dostal, J K Horton, C Harris, D F Brier, J R Bend. Stereoselectivity of cytosolic glutathione S-transferases with arene and alkene oxide substrates in various tissues and isolated hepatic and pulmonary cells of the rabbit.
Carcinogenesis.
1987 Nov; 8(11):1601-6. doi:
10.1093/carcin/8.11.1601. [PMID: 3664952] - G M Pacifici, M Franchi, C Bencini, A Rane. Valpromide inhibits human epoxide hydrolase.
British journal of clinical pharmacology.
1986 Sep; 22(3):269-74. doi:
10.1111/j.1365-2125.1986.tb02886.x. [PMID: 3094569] - D E Moody, M H Silva, B D Hammock. Epoxide hydrolysis in the cytosol of rat liver, kidney, and testis. Measurement in the presence of glutathione and the effect of dietary clofibrate.
Biochemical pharmacology.
1986 Jul; 35(13):2073-80. doi:
10.1016/0006-2952(86)90573-3. [PMID: 3015145] - D N Loury, D E Moody, B W Kim, B D Hammock. Effect of dietary clofibrate on epoxide hydrolase activity in tissues of mice.
Biochemical pharmacology.
1985 May; 34(10):1827-33. doi:
10.1016/0006-2952(85)90656-2. [PMID: 4039938] - D R Peng, G M Pacifici, A Rane. Human fetal liver cultures: basal activities and inducibility of epoxide hydrolases and aryl hydrocarbon hydroxylase.
Biochemical pharmacology.
1984 Jan; 33(1):71-7. doi:
10.1016/0006-2952(84)90371-x. [PMID: 6538414] - S A Wrighton, W E Fahl, F L Shinnick, C R Jefcoate. Characteristics of microsomal reduction of benzo[a]pyrene 4,5-oxide.
Chemico-biological interactions.
1982 Jul; 40(3):345-56. doi:
10.1016/0009-2797(82)90157-0. [PMID: 6282475] - S S Gill, B D Hammock. Epoxide hydrolase activity in the mitochondrial fraction of mouse liver.
Nature.
1981 May; 291(5811):167-8. doi:
10.1038/291167a0. [PMID: 7194967] - B R Smith, J R Bend. Prediction of pulmonary benzo(a)pyrene 4,5-oxide clearance: a pharmacokinetic analysis of epoxide-metabolizing enzymes in rabbit lung.
The Journal of pharmacology and experimental therapeutics.
1980 Sep; 214(3):478-82. doi:
. [PMID: 7190605]
