2-Ene-vpa (BioDeep_00001873964)
Main id: BioDeep_00000011331
代谢物信息卡片
2-N-Propyl-2-pentenoic acid
化学式: C8H14O2 (142.0994)
中文名称: 2-丙基-2-戊烯酸
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCCC(=CCC)C(=O)O
InChI: InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
描述信息
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
D009676 - Noxae > D013723 - Teratogens
同义名列表
数据库引用编号
12 个数据库交叉引用编号
- ChEBI: CHEBI:80639
- KEGG: C16653
- PubChem: 6437068
- ChEMBL: CHEMBL117487
- CAS: 33786-47-9
- CAS: 60218-41-9
- CAS: 69827-64-1
- MetaboLights: MTBLC80639
- PubChem: 51090977
- LipidMAPS: LMFA01030968
- NIKKAJI: J362.528A
- KNApSAcK: 80639
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)
0 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
- H Wong, S Kumar, D W Rurak, E Kwan, F S Abbott, K W Riggs. Ontogeny of valproic acid disposition and metabolism: a developmental study in postnatal lambs and adult sheep.
Drug metabolism and disposition: the biological fate of chemicals.
2000 Aug; 28(8):912-9. doi:
NULL. [PMID: 10901700] - J L Scism, K M Powers, A A Artru, A C Chambers, L Lewis, K K Adkison, T F Kalhorn, D D Shen. Effects of probenecid on brain-cerebrospinal fluid-blood distribution kinetics of E-Delta 2-valproic acid in rabbits.
Drug metabolism and disposition: the biological fate of chemicals.
1997 Dec; 25(12):1337-46. doi:
NULL. [PMID: 9394022] - A Carlin, J Simmons. Assay for valproic acid and its E-delta2 metabolite in rat plasma by capillary gas chromatography without prior derivatization.
Journal of chromatography. B, Biomedical sciences and applications.
1997 Jun; 694(1):115-21. doi:
10.1016/s0378-4347(97)00110-2. [PMID: 9234854] - J Palaty, F S Abbott. Structure-activity relationships of unsaturated analogues of valproic acid.
Journal of medicinal chemistry.
1995 Aug; 38(17):3398-406. doi:
10.1021/jm00017a024. [PMID: 7650693] - K Kassahun, P Hu, M P Grillo, M R Davis, L Jin, T A Baillie. Metabolic activation of unsaturated derivatives of valproic acid. Identification of novel glutathione adducts formed through coenzyme A-dependent and -independent processes.
Chemico-biological interactions.
1994 Mar; 90(3):253-75. doi:
10.1016/0009-2797(94)90014-0. [PMID: 8168173] - J P Bolaños, J M Medina. Inhibition of neonatal brain fuel utilization by valproate and E-delta 2-valproate is not a consequence of the stimulation of the gamma-aminobutyric acid shunt.
Life sciences.
1994; 55(20):PL397-402. doi:
10.1016/0024-3205(94)00323-8. [PMID: 7968221] - M Elhamri, B Ferrier, M Martin, G Baverel. Effect of valproate and of two of its metabolites on renal substrate uptake and ammoniagenesis in the rat in vivo.
Contributions to nephrology.
1994; 110(?):41-5. doi:
10.1159/000423396. [PMID: 7956255] - Z Gregus, T Fekete, F Varga, C D Klaassen. Effect of valproic acid on glycine conjugation of benzoic acid.
The Journal of pharmacology and experimental therapeutics.
1993 Dec; 267(3):1068-75. doi:
. [PMID: 8263766] - M Elhamri, B Ferrier, M Martin, G Baverel. Effect of valproate, sodium 2-propyl-4-pentenoate and sodium 2-propyl-2-pentenoate on renal substrate uptake and ammoniagenesis in the rat.
The Journal of pharmacology and experimental therapeutics.
1993 Jul; 266(1):89-96. doi:
. [PMID: 8331578] - W Löscher, H Nau, U Wahnschaffe, D Hönack, C Rundfeldt, W Wittfoht, U Bojic. Effects of valproate and E-2-en-valproate on functional and morphological parameters of rat liver. II. Influence of phenobarbital comedication.
Epilepsy research.
1993 Jun; 15(2):113-31. doi:
10.1016/0920-1211(93)90092-l. [PMID: 8370349] - W Löscher, U Wahnschaffe, D Hönack, W Wittfoht, H Nau. Effects of valproate and E-2-en-valproate on functional and morphological parameters of rat liver. I. Biochemical, histopathological and pharmacokinetic studies.
Epilepsy research.
1992 Dec; 13(3):187-98. doi:
10.1016/0920-1211(92)90052-u. [PMID: 1493781] - S Hadad, T B Vree, E van der Kleijn, M Bialer. Pharmacokinetic analysis of ester prodrugs of valproic acid.
Journal of pharmaceutical sciences.
1992 Oct; 81(10):1047-50. doi:
10.1002/jps.2600811019. [PMID: 1432619] - G D Anderson, A A Acheampong, A J Wilensky, R H Levy. Effect of valproate dose on formation of hepatotoxic metabolites.
Epilepsia.
1992 Jul; 33(4):736-42. doi:
10.1111/j.1528-1157.1992.tb02355.x. [PMID: 1628592] - T Kondo, M Ishida, S Kaneko, T Hirano, K Otani, Y Fukushima, H Muranaka, N Koide, M Yokoyama, S Nakata. Is 2-propyl-4-pentenoic acid, a hepatotoxic metabolite of valproate, responsible for valproate-induced hyperammonemia?.
Epilepsia.
1992 May; 33(3):550-4. doi:
10.1111/j.1528-1157.1992.tb01708.x. [PMID: 1350534] - D B McLaughlin, G E McKinnon, M J Eadie. The influence of other anticonvulsants on the plasma concentration of E-2-en-valproate.
Clinical and experimental neurology.
1992; 29(?):62-9. doi:
NULL. [PMID: 1343873] - T Kondo, S Kaneko, K Otani, M Ishida, T Hirano, Y Fukushima, H Muranaka, N Koide, M Yokoyama. Associations between risk factors for valproate hepatotoxicity and altered valproate metabolism.
Epilepsia.
1992 Jan; 33(1):172-7. doi:
10.1111/j.1528-1157.1992.tb02302.x. [PMID: 1733753] - W Löscher, D Hönack, B Nolting, C P Fassbender. Trans-2-en-valproate: reevaluation of its anticonvulsant efficacy in standardized seizure models in mice, rats and dogs.
Epilepsy research.
1991 Sep; 9(3):195-210. doi:
10.1016/0920-1211(91)90053-i. [PMID: 1743183] - C V Vorhees, K D Acuff-Smith, W P Weisenburger, D R Minck, J S Berry, K D Setchell, H Nau. Lack of teratogenicity of trans-2-ene-valproic acid compared to valproic acid in rats.
Teratology.
1991 Jun; 43(6):583-90. doi:
10.1002/tera.1420430613. [PMID: 1882349] - R L Semmes, D D Shen. Comparative pharmacodynamics and brain distribution of E-delta 2-valproate and valproate in rats.
Epilepsia.
1991 Mar; 32(2):232-41. doi:
10.1111/j.1528-1157.1991.tb05250.x. [PMID: 2004628] - K Singh, J M Orr, F S Abbott. Pharmacokinetics and enterohepatic circulation of (E)-2-ene valproic acid in the rat.
Journal of pharmacobio-dynamics.
1990 Oct; 13(10):622-7. doi:
10.1248/bpb1978.13.622. [PMID: 2095402] - C Wegner, E Drews, H Nau. Zinc concentrations in mouse embryo and maternal plasma. Effect of valproic acid and nonteratogenic metabolite.
Biological trace element research.
1990 Jun; 25(3):211-7. doi:
10.1007/bf02990416. [PMID: 1698419] - L Dencker, H Nau, R D'Argy. Marked accumulation of valproic acid in embryonic neuroepithelium of the mouse during early organogenesis.
Teratology.
1990 Jun; 41(6):699-706. doi:
10.1002/tera.1420410606. [PMID: 2353317] - R L Semmes, D D Shen. Nonlinear binding of valproic acid (VPA) and E-delta 2-valproic acid to rat plasma proteins.
Pharmaceutical research.
1990 May; 7(5):461-7. doi:
10.1023/a:1015804413818. [PMID: 2114617] - A W Rettenmeier, W P Gordon, K S Prickett, R H Levy, J S Lockard, K E Thummel, T A Baillie. Metabolic fate of valproic acid in the rhesus monkey. Formation of a toxic metabolite, 2-n-propyl-4-pentenoic acid.
Drug metabolism and disposition: the biological fate of chemicals.
1986 Jul; 14(4):443-53. doi:
. [PMID: 2873992] - C Lewandowski, S Klug, H Nau, D Neubert. Pharmacokinetic aspects of drug effects in vitro: effects of serum protein binding on concentration and teratogenicity of valproic acid and 2-en-valproic acid in whole embryos in culture.
Archives of toxicology.
1986 Apr; 58(4):239-42. doi:
10.1007/bf00297113. [PMID: 3087328] - H Nau. Transfer of valproic acid and its main active unsaturated metabolite to the gestational tissue: correlation with neural tube defect formation in the mouse.
Teratology.
1986 Feb; 33(1):21-7. doi:
10.1002/tera.1420330105. [PMID: 3090732] - H Nau, W Loscher. Valproic acid and active unsaturated metabolite (2-en): transfer to mouse liver following human therapeutic doses.
Biopharmaceutics & drug disposition.
1985 Jan; 6(1):1-8. doi:
10.1002/bdd.2510060102. [PMID: 3921077] - W Löscher, H Nau. Comparative transfer of valproic acid and of an active metabolite into brain and liver: possible pharmacological and toxicological consequences.
Archives internationales de pharmacodynamie et de therapie.
1984 Aug; 270(2):192-202. doi:
NULL. [PMID: 6435554] - M Bialer, M Friedman, A Rubinstein. Rapid gas chromatographic assay for monitoring valproic acid and valpromide in plasma.
Journal of pharmaceutical sciences.
1984 Jul; 73(7):991-3. doi:
10.1002/jps.2600730734. [PMID: 6432998] - W Löscher, H Nau. Distribution of valproic acid and its metabolites in various brain areas of dogs and rats after acute and prolonged treatment.
The Journal of pharmacology and experimental therapeutics.
1983 Sep; 226(3):845-54. doi:
. [PMID: 6411902] - H Nau, R Zierer. Pharmacokinetics of valproic acid and metabolites in mouse plasma and brain following constant-rate application of the drug and its unsaturated metabolite with an osmotic delivery system.
Biopharmaceutics & drug disposition.
1982 Oct; 3(4):317-28. doi:
10.1002/bdd.2510030405. [PMID: 6819013]
