FLAMPROP-ISOPROPYL (BioDeep_00000271019)

代谢物信息卡片

FLAMPROP-ISOPROPYL

化学式: C19H19ClFNO3 (363.10374260000003)
中文名称: 麦草氟异丙酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(C)OC(=O)C(C)N(C(=O)C1=CC=CC=C1)C1=CC(Cl)=C(F)C=C1
InChI: InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3

描述信息

CONFIDENCE standard compound; INTERNAL_ID 357; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9643; ORIGINAL_PRECURSOR_SCAN_NO 9642
CONFIDENCE standard compound; INTERNAL_ID 357; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9675; ORIGINAL_PRECURSOR_SCAN_NO 9673
CONFIDENCE standard compound; INTERNAL_ID 357; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9699; ORIGINAL_PRECURSOR_SCAN_NO 9697
CONFIDENCE standard compound; INTERNAL_ID 357; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9719; ORIGINAL_PRECURSOR_SCAN_NO 9718
CONFIDENCE standard compound; INTERNAL_ID 357; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9686; ORIGINAL_PRECURSOR_SCAN_NO 9684
DATASET 20200303_ENTACT_RP_MIX505; CONFIDENCE standard compound; INTERNAL_ID 357; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9686; ORIGINAL_PRECURSOR_SCAN_NO 9684
CONFIDENCE standard compound; INTERNAL_ID 357; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9727; ORIGINAL_PRECURSOR_SCAN_NO 9726

同义名列表

1 个代谢物同义名

FLAMPROP-ISOPROPYL

数据库引用编号

11 个数据库交叉引用编号

PubChem: 40520
ChEMBL: CHEMBL3185461
CAS: 52756-22-6
CAS: 63782-90-1
MoNA: LU035706
MoNA: LU035705
MoNA: LU035704
MoNA: LU035703
MoNA: LU035702
MoNA: LU035701
PMhub: MS000001171

分类词条

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

C T Bedford, J V Crayford, D H Hutson, D E Wiggins. An example of the oxidative de-esterification of an isopropyl ester. Its role in the metabolism of the herbicide flampropisopropyl. Xenobiotica; the fate of foreign compounds in biological systems. 1978 Jun; 8(6):383-95. doi: 10.3109/00498257809070022. [PMID: 676346]
D H Hutson, J V Crayford, E C Hoadley. The fate of the herbicide flamprop-isopropyl (barnon) in rats and dogs. Xenobiotica; the fate of foreign compounds in biological systems. 1977 May; 7(5):279-300. doi: 10.3109/00498257709035786. [PMID: 899038]