13-epi-12-oxo-PDA

热力学上更稳定的12-氧代PDA形式

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货号 (SKU)	包装规格	是否现货	价格	数量
E332690-100μg	100μg	现货
E332690-500μg	500μg	期货

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Metabolites 02 (1)

基本描述

别名	13-EPI-12-氧代植物二烯酸
英文别名	4-oxo-5R-(2Z)-2-pentenyl-2-cyclopentene-1S-octanoic acid \| 13-epi-12-oxo Phytodienoic Acid
规格或纯度	≥95%, ~1mg/ml in ethanol
英文名称	13-epi-12-oxo-PDA
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	13-epi-12-oxo-PDA是12-氧代PDA的热力学上更稳定的形式。12-oxo-PDA是一种脂肪酸，是茉莉酸生物合成的中间体。研究表明，当用热、酸或碱处理12-oxo-PDA时，它形成具有反式取向侧链的13-epi-12-oxo-PDA。12-oxo-PDA也是亚麻酸级联的代谢产物，并显示参与植物中亚麻酸转化为表茉莉酸。 13-epi-12-oxo Phytodienoic Acid is a thermodynamically more stable form of 12-oxo-PDA. 12-oxo-PDA is a fatty acid that is an intermediate of the biosynthesis of jasmonic acid. Research shows that when 12-oxo-PDA is treated with heat, acid, or base it forms 13-epi-12-oxo-PDA with side chains that are trans-oriented. 12-oxo-PDA is also a metabolite of the linolenic acid cascade and shown to be involved in the the conversion of linolenic acid into epi-jasmonic acid in plants.

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

分子类型	小分子
IUPAC Name	8-[(1S,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
INCHI	InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16+/m0/s1
InChi Key	PMTMAFAPLCGXGK-TTXFDSJOSA-N
Canonical SMILES	CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O
Isomeric SMILES	CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O
分子量	292.40
Reaxy-Rn	39424109
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39424109&ln=

溶解性	Soluble in water (1 mg/ml at 25° C), PBS pH 7.2 (~1 mg/ml), ethanol, DMSO (~10 mg/ml), and DMF (~20 mg/ml).
折光率	n20D~1.50
沸点	78° C
分子量	292.400 g/mol
XLogP3	4.700
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	3
可旋转键计数Rotatable Bond Count	11
精确质量Exact Mass	292.204 Da
单同位素质量Monoisotopic Mass	292.204 Da
拓扑极表面积Topological Polar Surface Area	54.400 Å²
重原子数Heavy Atom Count	21
形式电荷Formal Charge	0
复杂度Complexity	382.000
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	2
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