2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

• ChemBase编号: 73018
• 分子式: C59H90O4
• 平均质量: 863.3435
• 单一同位素质量: 862.68391136
• SMILES: C1(=C(C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C)OC)OC
• Canonical SMILES: COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C
• InChI: InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
• InChIKey: ACTIUHUUMQJHFO-UPTCCGCDSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione; 2-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• IUPAC传统名: coenzyme-Q10; 2-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
• 别名: Ubiquinone; Ubidecarenone; coenzyme Q; CoQ10; Coenzyme Q10(CoQ10); Q-10; Ubiquinone-10; Coenzyme Q10; Ubiquinone 50; COENZYME Q10 BOVINE; COENZYME Q10

登记号

• CAS号: 303-98-0
• EC号: 206-147-9
• MDL号: MFCD00042919
• Beilstein号: 1900141
• PubChem SID: 24893170; 162037938
• PubChem CID: 5281915
• CHEBI ID: 46245
• ATC码: C01EB09
• CHEMBL: 454801
• Chemspider ID: 4445197
• 美国药典/FDA物质标识码: EJ27X76M46
• 维基百科标题: Coenzyme_Q10

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 17.156128
• LogD (pH = 7.4): 17.156128
• Log P: 17.156128
• 摩尔折射率: 286.6052 cm^3
• 极化性: 107.49632 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 31
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 49-51 °C

安全信息

• 保存条件: 0°C; -20°C
• RTECS编号: DK3900000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC); ≥99.0% (HPLC)
• 成盐信息: Free Base
• Empirical Formula (Hill Notation): C59H90O4

详细说明

MP Biomedicals - 02195108

From Bovine Heart
Involved in electron transport in mitochondrial preparations. Possible cardiovascular agents.

Selleck Chemicals - S2398

Research Area: Metabolic Disease
Biological Activity:
Coenzyme Q10 (ubiquinone, ubidecarenone, coenzyme Q) is a component of the electron transport chain and participates in aerobic cellular respiration, generating energy in the form of ATP. Coenzyme Q10 (ubiquinone, ubidecarenone, coenzyme Q) is found naturally in the energy-producing center of the cell known as the mitochondria. Coenzyme Q10 (ubiquinone, ubidecarenone, coenzyme Q) is found in the membranes of many organelles. Some other organelles that contain CoQ10 include endoplasmic reticulum, peroxisomes, lysosomes, and vesicles. Coenzyme Q10 (ubiquinone, ubidecarenone, coenzyme Q) also works as an antioxidant. [1][2]

Sigma Aldrich - C9538

Biochem/physiol Actions
Endogenous cellular antioxidant; essential component of the electron transfer chain.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. C9538.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 27595

Other Notes
Coenzyme Q.1

参考文献

• http://en.wikipedia.org/wiki/Coenzyme_Q10