Tropate (BioDeep_00000001104)

   

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


Tropicamide impurity C, European Pharmacopoeia (EP) Reference Standard

化学式: C9H10O3 (166.063)
中文名称: DL-托品酸, 托品酸
谱图信息: 最多检出来源 Homo sapiens(otcml) 12.12%

分子结构信息

SMILES: C1=CC=C(C=C1)C(CO)C(=O)O
InChI: InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

描述信息

Tropic acid is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. It has a role as a human xenobiotic metabolite. It is functionally related to a propionic acid and a hydratropic acid. It is a conjugate acid of a tropate.
Tropic acid is a natural product found in Hyoscyamus muticus, Datura stramonium, and other organisms with data available.
Tropic acid is a metabolite found in or produced by Saccharomyces cerevisiae.
Tropate, also known as Tropic acid or alpha-(Hydroxymethyl)phenylacetic acid, is classified as a beta hydroxy acid or a Beta hydroxy acid derivative. Beta hydroxy acids are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Tropate is considered to be soluble in water and acidic. Tropate can be synthesized from hydratropic acid and propionic acid. Tropate can be synthesized into tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate
A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group.
KEIO_ID T059
Tropic acid (DL-Tropic acid) is a laboratory reagent used in the chemical synthesis of Atropine and Hyoscyamine[1].
Tropic acid (DL-Tropic acid) is a laboratory reagent used in the chemical synthesis of Atropine and Hyoscyamine[1].

同义名列表

79 个代谢物同义名

Tropicamide impurity C, European Pharmacopoeia (EP) Reference Standard; Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (.+/-.)-; (2RS)-3-Hydroxy-2-phenylpropanoic Acid (Tropic Acid); BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (+/-)-; .alpha.-Toluic acid, .alpha.-(hydroxymethyl)-; Tropic acid 3-Hydroxy-2-phenylpropanoic acid; Benzeneacetic acid, .alpha.-(hydroxymethyl)-; Benzeneacetic acid, alpha-(hydroxymethyl)-; Tropic acid, Vetec(TM) reagent grade, 98\\%; alpha-Toluic acid, alpha-(hydroxymethyl)-; ATROPINE SULFATE IMPURITY C [EP IMPURITY]; alpha-phenyl-beta-hydroxypropionic acid; alpha-(Hydroxymethyl)benzeneacetic acid; (2RS)-3-HYDROXY-2-PHENYLPROPANOIC ACID; (+/-)-3-HYDROXY-2-PHENYLPROPIONIC ACID; (+/-)-2-Phenyl-3-hydroxypropionic acid; alpha-(Hydroxymethyl)phenylacetic acid; (1)-(Hydroxymethyl)phenylacetic acid; TROPICAMIDE IMPURITY C [EP IMPURITY]; alpha-Phenyl-beta-hydroxypropionate; 2-hydroxymethyl-2-phenylacetic acid; Α-(hydroxymethyl)benzeneacetic acid; alpha-(Hydroxymethyl)benzeneacetate; a-(Hydroxymethyl)benzeneacetic acid; alpha-(Hydroxymethyl)phenylacetate; Α-(hydroxymethyl)phenylacetic acid; a-(hydroxymethyl)phenylacetic acid; 3-hydroxy-2-phenyl-propionic acid; 3-hydroxy-2-phenyl-propanoic acid; Hydratropic acid, .beta.-hydroxy-; 2-PHENYL-3-HYDROXYPROPIONIC ACID; 3-Hydroxy-2-phenylpropionic acid; 3-hydroxy-2-phenylpropanoic acid; Α-phenyl-β-hydroxypropionic acid; 2-phenyl-3-hydroxypropanoic acid; a-Phenyl-b-hydroxypropionic acid; a-(Hydroxymethyl)benzeneacetate; Α-(hydroxymethyl)benzeneacetate; 3-Hydroxy-2-phenylpropanoicacid; Hydratropic acid, beta-hydroxy-; a-(Hydroxymethyl)phenylacetate; Α-(hydroxymethyl)phenylacetate; a-Phenyl-b-hydroxypropionate; beta-hydroxyhydratropic acid; tropic acid, monosodium salt; 3-Hydroxy-2-phenylpropionate; Α-phenyl-β-hydroxypropionate; alpha-phenylhydracrylic acid; Hydracrylic acid, 2-phenyl-; DL-TROPIC ACID;TROPIC ACID; Β-hydroxyhydratropic acid; b-Hydroxyhydratropic acid; tropic acid, (+-)-isomer; 2-Phenylhydracrylic acid; beta-Hydroxyhydratropate; tropic acid, (R)-isomer; tropic acid, (S)-isomer; Tropicamide impurity C; Β-hydroxyhydratropate; Tropic acid, (.+/-.)-; b-Hydroxyhydratropate; 2-phenylhydracrylate; Racemic tropic acid; TROPIC ACID, (+/-)-; Tropic acid, 98\\%; (+/-)-Tropic acid; TROPIC ACID [MI]; (+-)-tropic acid; UNII-9RM4U80765; dl-Tropic acid; di-Tropic acid; DL-TROPICACID; Oprea1_210445; (+-)-Tropate; Tropic acid; 9RM4U80765; tropasaure; Tropate; Tropate



数据库引用编号

29 个数据库交叉引用编号

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)

6 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。

亚细胞结构定位 关联基因列表
Cytoplasm 6 ABCB1, AZIN2, CASP3, GAPDH, GSK3B, HMGB1
Peripheral membrane protein 1 HMGB1
Endosome membrane 1 BACE1
Endoplasmic reticulum membrane 1 PSEN1
Nucleus 6 AZIN2, CASP3, GAPDH, GSK3B, HMGB1, PSEN1
cytosol 5 AZIN2, CASP3, GAPDH, GSK3B, IL1B
dendrite 4 AZIN2, BACE1, GSK3B, PSEN1
trans-Golgi network 2 AZIN2, BACE1
centrosome 2 GSK3B, PSEN1
nucleoplasm 4 CASP3, GSK3B, HMGB1, PSEN1
Cell membrane 6 ABCB1, ADRB3, BACE1, GSK3B, HMGB1, PSEN1
Cell projection, axon 2 BACE1, PSEN1
Cell projection, growth cone 1 PSEN1
Cytoplasmic granule 1 PSEN1
Early endosome membrane 1 PSEN1
Multi-pass membrane protein 3 ABCB1, ADRB3, PSEN1
Golgi apparatus membrane 1 PSEN1
Synapse 1 PSEN1
cell cortex 1 PSEN1
cell junction 1 PSEN1
cell surface 4 ABCB1, BACE1, HMGB1, PSEN1
ciliary rootlet 1 PSEN1
dendritic shaft 1 PSEN1
gamma-secretase complex 1 PSEN1
glutamatergic synapse 3 CASP3, GSK3B, PSEN1
Golgi apparatus 2 BACE1, PSEN1
Golgi membrane 1 PSEN1
growth cone 1 PSEN1
lysosomal membrane 1 PSEN1
mitochondrial inner membrane 1 PSEN1
neuromuscular junction 1 PSEN1
neuronal cell body 3 BACE1, CASP3, PSEN1
postsynapse 2 GSK3B, PSEN1
presynaptic membrane 1 PSEN1
sarcolemma 1 PSEN1
smooth endoplasmic reticulum 1 PSEN1
synaptic vesicle 2 BACE1, PSEN1
Cytoplasm, cytosol 2 GAPDH, IL1B
Lysosome 2 BACE1, IL1B
Presynapse 1 GSK3B
endosome 2 BACE1, HMGB1
plasma membrane 8 ABCB1, ADRB3, BACE1, GAPDH, GSK3B, HMGB1, PSEN1, SERPINC1
Membrane 5 ABCB1, AZIN2, BACE1, GAPDH, PSEN1
apical plasma membrane 1 ABCB1
axon 4 AZIN2, BACE1, GSK3B, PSEN1
extracellular exosome 3 ABCB1, GAPDH, SERPINC1
endoplasmic reticulum 3 BACE1, HMGB1, PSEN1
extracellular space 5 HMGB1, IL17A, IL1B, IL6, SERPINC1
perinuclear region of cytoplasm 2 AZIN2, GAPDH
mitochondrion 3 AZIN2, GSK3B, PSEN1
protein-containing complex 1 PSEN1
intracellular membrane-bounded organelle 1 GAPDH
postsynaptic density 1 CASP3
Single-pass type I membrane protein 1 BACE1
Secreted 4 HMGB1, IL17A, IL1B, IL6
extracellular region 5 HMGB1, IL17A, IL1B, IL6, SERPINC1
hippocampal mossy fiber to CA3 synapse 1 BACE1
Extracellular side 1 HMGB1
nuclear membrane 2 GAPDH, PSEN1
external side of plasma membrane 1 IL17A
multivesicular body 1 BACE1
perikaryon 1 AZIN2
beta-catenin destruction complex 1 GSK3B
cytoplasmic vesicle 1 AZIN2
microtubule cytoskeleton 1 GAPDH
Wnt signalosome 1 GSK3B
Early endosome 2 BACE1, PSEN1
recycling endosome 1 BACE1
vesicle 1 GAPDH
Apical cell membrane 1 ABCB1
Cytoplasm, perinuclear region 1 GAPDH
Membrane raft 2 BACE1, PSEN1
Cytoplasm, cytoskeleton 1 GAPDH
cis-Golgi network 1 AZIN2
collagen-containing extracellular matrix 1 SERPINC1
secretory granule 1 IL1B
nuclear outer membrane 1 PSEN1
Late endosome 1 BACE1
receptor complex 1 ADRB3
Cell projection, neuron projection 1 PSEN1
neuron projection 1 PSEN1
Chromosome 1 HMGB1
cytoskeleton 1 GAPDH
Secreted, extracellular space 1 SERPINC1
Golgi apparatus, trans-Golgi network 1 BACE1
blood microparticle 1 SERPINC1
Endomembrane system 1 BACE1
Lipid droplet 1 GAPDH
Cytoplasmic vesicle membrane 1 BACE1
Cell projection, dendrite 1 BACE1
ficolin-1-rich granule lumen 1 HMGB1
secretory granule lumen 1 HMGB1
endoplasmic reticulum lumen 3 BACE1, IL6, SERPINC1
transcription repressor complex 1 HMGB1
kinetochore 1 PSEN1
transport vesicle 1 AZIN2
azurophil granule membrane 1 PSEN1
Secreted, extracellular exosome 1 IL1B
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 AZIN2
aggresome 1 PSEN1
ribonucleoprotein complex 1 GAPDH
endoplasmic reticulum-Golgi intermediate compartment 2 AZIN2, HMGB1
external side of apical plasma membrane 1 ABCB1
death-inducing signaling complex 1 CASP3
Rough endoplasmic reticulum 1 PSEN1
Golgi apparatus, cis-Golgi network 1 AZIN2
condensed chromosome 1 HMGB1
GAIT complex 1 GAPDH
alphav-beta3 integrin-HMGB1 complex 1 HMGB1
interleukin-6 receptor complex 1 IL6
Golgi-associated vesicle lumen 1 BACE1
granular vesicle 1 AZIN2


文献列表

  • Beibei Liu, Chunyuan Wu, Pan Pan, Yiqing Fu, Zhenli He, Lin Wu, Qinfen Li. Remediation effectiveness of vermicompost for a potentially toxic metal-contaminated tropical acidic soil in China. Ecotoxicology and environmental safety. 2019 Oct; 182(?):109394. doi: 10.1016/j.ecoenv.2019.109394. [PMID: 31276885]
  • Nishikant Wase, Boqiang Tu, James W Allen, Paul N Black, Concetta C DiRusso. Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae. Plant physiology. 2017 Aug; 174(4):2146-2165. doi: 10.1104/pp.17.00433. [PMID: 28652262]
  • Huaixia Chen, Yong Chen, Peng Du, Fengmei Han. Liquid chromatography-electrospray ionization ion trap mass spectrometry for analysis of in vivo and in vitro metabolites of scopolamine in rats. Journal of chromatographic science. 2008 Jan; 46(1):74-80. doi: 10.1093/chromsci/46.1.74. [PMID: 18218192]
  • Tommaso R I Cataldi, Giuliana Bianco. Capillary electrophoresis of tropane alkaloids and glycoalkaloids occurring in Solanaceae plants. Methods in molecular biology (Clifton, N.J.). 2008; 384(?):171-203. doi: 10.1007/978-1-59745-376-9_9. [PMID: 18392571]
  • Hye-Ran Yoon. Two step derivatization for the analyses of organic, amino acids and glycines on filter paper plasma by GC-MS/SIM. Archives of pharmacal research. 2007 Mar; 30(3):387-95. doi: 10.1007/bf02977623. [PMID: 17424948]
  • Patrick K Harrison, John E H Tattersall, Ed Gosden. The presence of atropinesterase activity in animal plasma. Naunyn-Schmiedeberg's archives of pharmacology. 2006 Jun; 373(3):230-6. doi: 10.1007/s00210-006-0054-5. [PMID: 16736160]
  • M Eeva, J P Salo, K M Oksman-Caldentey. Determination of the main tropane alkaloids from transformed Hyoscyamus muticus plants by capillary zone electrophoresis. Journal of pharmaceutical and biomedical analysis. 1998 Jan; 16(5):717-22. doi: 10.1016/s0731-7085(97)00121-0. [PMID: 9535182]
  • P Duez, A Kumps, Y Mardens. GC-MS profiling of urinary organic acids evaluated as a quantitative method. Clinical chemistry. 1996 Oct; 42(10):1609-15. doi: . [PMID: 8855143]
  • M A Fliniaux, A Jacquin-Dubreuil. A competitive solid-phase enzyme immunoassay for the evaluation of tropane alkaloids in plant material, using anti-DL-tropic acid antibodies. Planta medica. 1987 Feb; 53(1):87-90. doi: 10.1055/s-2006-962629. [PMID: 3554285]
  • M J Van der Meer, H K Hundt, F O Müller. The metabolism of atropine in man. The Journal of pharmacy and pharmacology. 1986 Oct; 38(10):781-4. doi: 10.1111/j.2042-7158.1986.tb04494.x. [PMID: 2879005]
  • Z Trnavská, P Verner. Binding of indomethacin ester with tropic acid to human serum albumin. Pharmacology. 1983; 26(5):270-3. doi: 10.1159/000137810. [PMID: 6856668]