顺式-乌头酸

  • ≥90%
有货

库存信息

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库存信息

关闭
货号 (SKU) 包装规格 是否现货 价格 数量
A111230-250mg
250mg 现货 Stock Image
A111230-1g
1g 现货 Stock Image
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羧酸 (2072)

基本描述

别名 顺-乌头酸 | 顺式-1,2,3-丙烯三羧酸 | (Z)-乌头酸
英文别名 Achilleic acid | ACONITIC ACID | cis-Aconitic acid | cis-Aconic acid | (Z)-Aconitic acid | cis-aconitate | Citridic acid | (1Z)-prop-1-ene-1,2,3-tricarboxylic acid | Citridinic acid | (Z)-prop-1-ene-1,2,3-tricarboxylic acid | Equisetic acid | Achilleaic a
规格或纯度 ≥90%
英文名称 cis-Aconitic acid
储存温度 -20°C储存
运输条件 超低温冰袋运输
产品介绍

是一种不饱和三羧酸,常以顺式存在。顺乌头酸熔点130℃,反乌头酸熔点194~195℃。首先在乌头属植物Aconitum napellus中发现。 有吸湿性。易溶于水和乙醇,微溶于乙 醚。加热易转化为反式。有毒。有致癌可能性。有刺激性

在生物体内顺乌头酸是柠檬酸在乌头酸酶(定位在线粒体内)作用下异构化生成异柠檬酸的中间产物,这一转变过程受氟乙酸抑制。氟乙酸(常用作灭鼠药)在体内转变为氟乙酰CoA,与草酰乙酸缩合成氟柠檬酸,后者抑制乌头酸酶,阻断柠檬酸转变为异柠檬酸,中止柠檬酸循环,造成致命的后果。可作为测定植物组织中有机酸的标准品。

cis-Aconitic acid is the cis-isomer of Aconitic Acid. The conjugate base of cis-Aconitic Acid is an intermediate in the isomerization of citrate and isocitrate in the citric acid cycle.

A cis-isomer of Aconitic Acid.

cis-Aconitic acid can be used as a standard for the determination of organic acids in plant tissues

AI解读

关联靶点(人)

ACLY Tclin ATP-citrate synthase (168 活性数据)
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A498 (42825 活性数据)
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ACHN (49357 活性数据)
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CAKI-1 (44928 活性数据)
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CCRF-CEM (65223 活性数据)
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COLO 205 (50209 活性数据)
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DU-145 (51482 活性数据)
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HL-60 (67320 活性数据)
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HT-29 (80576 活性数据)
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K562 (73714 活性数据)
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KM12 (47707 活性数据)
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M14 (47487 活性数据)
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MCF7 (126967 活性数据)
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MOLT-4 (49676 活性数据)
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OVCAR-3 (48710 活性数据)
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OVCAR-4 (44535 活性数据)
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OVCAR-5 (45555 活性数据)
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OVCAR-8 (47708 活性数据)
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PC-3 (62116 活性数据)
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RPMI-8226 (44974 活性数据)
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RXF 393 (41971 活性数据)
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SF-295 (48000 活性数据)
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SK-MEL-2 (46422 活性数据)
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SK-MEL-28 (48833 活性数据)
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SK-MEL-5 (47095 活性数据)
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SK-OV-3 (52876 活性数据)
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SN12C (47755 活性数据)
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SNB-19 (46794 活性数据)
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TK-10 (45540 活性数据)
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U-251 (51189 活性数据)
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UACC-257 (46019 活性数据)
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UACC-62 (47335 活性数据)
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UO-31 (46270 活性数据)
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786-0 (47912 活性数据)
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A549 (127892 活性数据)
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NCI/ADR-RES (33767 活性数据)
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T47D (39041 活性数据)
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EKVX (44102 活性数据)
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NCI-H322M (45589 活性数据)
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HCC 2998 (41480 活性数据)
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HCT-116 (91556 活性数据)
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Hs-578T (29457 活性数据)
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NCI-H460 (60772 活性数据)
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SF-268 (49410 活性数据)
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IGROV-1 (47897 活性数据)
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LOX IMVI (44321 活性数据)
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HOP-62 (47048 活性数据)
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MDA-MB-435 (38290 活性数据)
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MDA-N (28205 活性数据)
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Malme-3M (44254 活性数据)
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关联靶点(其它种属)

Hdac6 Histone deacetylase 6 (222 活性数据)
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rep Replicase polyprotein 1ab (378 活性数据)
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SARS-CoV-2 (38078 活性数据)
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A085R Prolyl 4-hydroxylase (72 活性数据)
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作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

分子类型 小分子
IUPAC Name (Z)-prop-1-ene-1,2,3-tricarboxylic acid
INCHI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChi Key GTZCVFVGUGFEME-IWQZZHSRSA-N
Canonical SMILES C(C(=CC(=O)O)C(=O)O)C(=O)O
Isomeric SMILES C(/C(=C/C(=O)O)/C(=O)O)C(=O)O
WGK Germany 1
PubChem CID 643757
分子量 174.11
Beilstein号 1725829

化学和物理性质

溶解性 Soluble in water, alcohol. Slightly soluble in ether.
密度 1.66
敏感性 对湿度敏感
熔点 130°C
分子量 174.110 g/mol
XLogP3 -1.000
氢键供体数Hydrogen Bond Donor Count 3
氢键受体数Hydrogen Bond Acceptor Count 6
可旋转键计数Rotatable Bond Count 4
精确质量Exact Mass 174.016 Da
单同位素质量Monoisotopic Mass 174.016 Da
拓扑极表面积Topological Polar Surface Area 112.000 Ų
重原子数Heavy Atom Count 12
形式电荷Formal Charge 0
复杂度Complexity 251.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 1
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 1
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

象形图 GHS07
信号词 Warning
危险声明

H315: 引起皮肤刺激

H319: 引起严重眼睛刺激

H335: 可能引起呼吸道刺激

H302: 吞食有害

H332: 吸入有害

预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P305+P351+P338: 如进入眼睛:用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出,取出隐形眼镜。继续冲洗。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P302+P352: 如皮肤沾染:用水充分清洗。

P321: 特殊处理(请参阅此标签上的...)。

P405: 密闭存放

P501: 将内容物/容器处理到。。。

P264: 处理后要彻底洗手。

P271: 仅在室外或通风良好的地方使用。

P270: 使用本产品时,请勿进食、饮水或吸烟。

P304+P340: 如误吸入:将人转移到空气新鲜处,保持呼吸舒适体位。

P403+P233: 存放在通风良好的地方。保持容器密闭。

P362+P364: 脱掉沾污的衣服,清洗后方可重新使用。

P330: 漱口

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P301+P317: 如果被吞咽:请寻求医疗帮助。

P317: 寻求紧急医疗救助。

P337+P317: 如果眼睛刺激持续:寻求医疗帮助。

P332+P317: 如果出现皮肤刺激:请寻求医疗帮助。

P319: 如果你感到不适,请寻求医疗帮助。

WGK Germany 1

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批号(Lot Number) 证书类型 日期 货号
K2412132 分析证书 24-11-05 A111230
K2412133 分析证书 24-11-05 A111230
G2322064 分析证书 24-05-16 A111230
G2322075 分析证书 24-05-16 A111230
C2428047 分析证书 23-07-04 A111230
H2218053 分析证书 23-05-12 A111230
K2113273 分析证书 22-09-09 A111230
K2113316 分析证书 22-09-09 A111230
J2129369 分析证书 22-08-12 A111230
H2218054 分析证书 22-06-28 A111230
G2214054 分析证书 22-06-16 A111230
E2310093 分析证书 21-10-26 A111230

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此产品的引用文献

1. Ran Xin, Meng Dong, Yu-Ying Zhang, Xu-Hui Huang, Xiu-Ping Dong, Lei Qin.  (2023)  Development and validation of a HILIC-MS/MS method for simultaneous quantitative of taste-active compounds in foods.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,  120  (105302).  [10.1016/j.jfca.2023.105302]
2. Meng Dong, Ran Xin, Zhi-Yuan Li, Yu-Lian Li, Xu-Hui Huang, Xiu-Ping Dong, Bei-Wei Zhu, Lei Qin.  (2023)  Simultaneously quantification of organic acids metabolites by HPLC mass spectrometry to reveal the postharvest quality change in cherry tomato.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,  117  (105105).  [10.1016/j.jfca.2022.105105]
3. Jiaxing Fan, Jianglu Zhou, Shenmin Su, Yunqiu Yu, Lihong Chen, Yunchen Le, Xiaopan Wang, Li Zhang, Jie Zheng, Xia Li.  (2021)  Quantitative detection and metabolic profile analysis of metabolites of tricarboxylic acid cycle and amino acids in psoriasis serum before and after receiving monoclonal antibody treatment by one-pot GC-MS derivatization.  INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,  460  (116478).  [10.1016/j.ijms.2020.116478]
4. Jia Xu, Yuanyuan Zhai, Li Feng, Tong Xie, Weifeng Yao, Jinjun Shan, Li Zhang.  (2019)  An optimized analytical method for cellular targeted quantification of primary metabolites in tricarboxylic acid cycle and glycolysis using gas chromatography-tandem mass spectrometry and its application in three kinds of hepatic cell lines.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,  171  (171).  [PMID:31005043] [10.1016/j.jpba.2019.04.022]
5. Zhang Haijuan, Qiao Xin, Cai Tianpei, Chen Jia, Li Zhan, Qiu Hongdeng.  (2017)  Preparation and characterization of carbon dot-decorated silica stationary phase in deep eutectic solvents for hydrophilic interaction chromatography.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (9): (2401-2410).  [PMID:28084509] [10.1007/s00216-017-0187-z]

参考文献

1. Ran Xin, Meng Dong, Yu-Ying Zhang, Xu-Hui Huang, Xiu-Ping Dong, Lei Qin.  (2023)  Development and validation of a HILIC-MS/MS method for simultaneous quantitative of taste-active compounds in foods.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,  120  (105302).  [10.1016/j.jfca.2023.105302]
2. Meng Dong, Ran Xin, Zhi-Yuan Li, Yu-Lian Li, Xu-Hui Huang, Xiu-Ping Dong, Bei-Wei Zhu, Lei Qin.  (2023)  Simultaneously quantification of organic acids metabolites by HPLC mass spectrometry to reveal the postharvest quality change in cherry tomato.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,  117  (105105).  [10.1016/j.jfca.2022.105105]
3. Jiaxing Fan, Jianglu Zhou, Shenmin Su, Yunqiu Yu, Lihong Chen, Yunchen Le, Xiaopan Wang, Li Zhang, Jie Zheng, Xia Li.  (2021)  Quantitative detection and metabolic profile analysis of metabolites of tricarboxylic acid cycle and amino acids in psoriasis serum before and after receiving monoclonal antibody treatment by one-pot GC-MS derivatization.  INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,  460  (116478).  [10.1016/j.ijms.2020.116478]
4. Jia Xu, Yuanyuan Zhai, Li Feng, Tong Xie, Weifeng Yao, Jinjun Shan, Li Zhang.  (2019)  An optimized analytical method for cellular targeted quantification of primary metabolites in tricarboxylic acid cycle and glycolysis using gas chromatography-tandem mass spectrometry and its application in three kinds of hepatic cell lines.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,  171  (171).  [PMID:31005043] [10.1016/j.jpba.2019.04.022]
5. Zhang Haijuan, Qiao Xin, Cai Tianpei, Chen Jia, Li Zhan, Qiu Hongdeng.  (2017)  Preparation and characterization of carbon dot-decorated silica stationary phase in deep eutectic solvents for hydrophilic interaction chromatography.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (9): (2401-2410).  [PMID:28084509] [10.1007/s00216-017-0187-z]

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