4-Nitrobenzoic acid (BioDeep_00000002368)

human metabolite blood metabolite Volatile Flavor Compounds

代谢物信息卡片

4-Nitrobenzoic acid, silver salt

化学式: C7H5NO4 (167.021857)
中文名称: 对硝基苯甲酸, 4-硝基苯甲酸
谱图信息: 最多检出来源 Homo sapiens(blood) 1.64%

分子结构信息

SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
InChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3571; ORIGINAL_PRECURSOR_SCAN_NO 3570
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3551; ORIGINAL_PRECURSOR_SCAN_NO 3550
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3569; ORIGINAL_PRECURSOR_SCAN_NO 3568
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3553; ORIGINAL_PRECURSOR_SCAN_NO 3552
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3596; ORIGINAL_PRECURSOR_SCAN_NO 3594
CONFIDENCE standard compound; INTERNAL_ID 1247; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3589; ORIGINAL_PRECURSOR_SCAN_NO 3588

同义名列表

17 个代谢物同义名

4-Nitrobenzoic acid, silver salt; 4-Nitrobenzoic acid, sodium salt; p-Nitrobenzenecarboxylic acid; p-Nitrobenzenecarboxylate; 1-Carboxy-4-nitrobenzene; Para-nitrobenzoic acid; p-Nitrodracylic acid; 4-Nitrodracylic acid; 4-NITROBENZOIC ACID; p-Nitrobenzoic acid; Nitrodracylic acid; p-Nitrodracylate; 4-Nitrodracylate; 4-Nitrobenzoate; p-Nitrobenzoate; Nitrodracylate; 4-Nitrobenzoic acid

数据库引用编号

20 个数据库交叉引用编号

ChEBI: CHEBI:262350
KEGG: C18625
KEGGdrug: D70606
PubChem: 6108
HMDB: HMDB0246532
Metlin: METLIN72419
ChEMBL: CHEMBL101263
Wikipedia: 4-Nitrobenzoic_acid
chemspider: 5882
CAS: 62-23-7
MoNA: LU124753
MoNA: LU124756
MoNA: LU124754
MoNA: LU124751
MoNA: LU124752
MoNA: LU124755
PMhub: MS000002439
PubChem: 124489299
PDB-CCD: 4NB
RefMet: 4-Nitrobenzoic acid

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)

1 个相关的物种来源信息

9606 - Homo sapiens: -

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

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Byoung-Jun Kim, Su-Yeon Yi, Tae-Sun Shim, Seung Yeon Do, Hee-Kyung Yu, Young-Gil Park, Yoon-Hoh Kook, Bum-Joon Kim. Discovery of a novel hsp65 genotype within Mycobacterium massiliense associated with the rough colony morphology. PloS one. 2012; 7(6):e38420. doi: 10.1371/journal.pone.0038420. [PMID: 22693637]
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Rokeya Sultana Rekha, S M Mostafa Kamal, Peter Andersen, Zeaur Rahim, Md Imranul Hoq, Gul Ara, Jan Andersson, David Sack, Rubhana Raqib. Validation of the ALS assay in adult patients with culture confirmed pulmonary tuberculosis. PloS one. 2011 Jan; 6(1):e16425. doi: 10.1371/journal.pone.0016425. [PMID: 21283655]
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Ulrika Forsman, Mats Sjöberg, Mikael Turunen, Pavel J Sindelar. 4-Nitrobenzoate inhibits coenzyme Q biosynthesis in mammalian cell cultures. Nature chemical biology. 2010 Jul; 6(7):515-7. doi: 10.1038/nchembio.372. [PMID: 20526342]
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