CAS 303-98-0|Ubiquinone|coenzyme Q|Ubidecarenone|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-meth...

基本信息

化学结构

分子式

C₅₉H₉₀O₄

分子量

863.3435

精确质量

862.68391136

电荷

0

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

Canonic 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

Isomeric 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

计算属性

JChem

LogD (pH = 7.4)

17.16

LogD (pH = 5.5)

17.16

Log P

17.16

可自由旋转的化学键

31

质子供体

0

质子受体

4

里宾斯基五规则

false

Acid pKa

-4.72

极化表面积

52.60

极化性

112.47

摩尔折射率

286.61

LOG S

-18.12

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

coenzyme QUbiquinoneCoenzyme Q10(CoQ10)CoQ10UbidecarenoneCOENZYME Q10Q-10Coenzyme Q10Ubiquinone-10Ubiquinone 50COENZYME Q10 BOVINEUbidecarenonecoenzyme Q10ubiquinone-10coenzyme Q10Coenzyme Q10CoQ10Ubiquinone-10Q 199ubiquinone 10UBIQUINONE-10AdelirubiquinoneQ10ubiquinone 502-[(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-methyl-1,4-benzoquinoneQall-trans-ubiquinoneCoQ2-((all-E)-3,7,11,15,19,23,27,31,35,39-decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecaenyl)-5,6-dimethoxy-3-methyl-p-benzoquinone

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 coenzyme Q10

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

名称和标识

数据登录号

PubChem SID

2489317016203793826697085

MDL号

EC号

CAS号

Beilstein号

PubChem CID

CHEBI ID

46245CHEBI:46241CHEBI:46245CHEBI:9854

美国药典/FDA物质标识码

ATC码

维基百科标题

Chemspider ID

CHEMBL

BKMS React数据库

5536124791366731934786035148249133032316221695175567207267

BRENDA Ligand数据库

1755671366731934781330323162216956035553614824912479207267

PDB数据库

1rvj4nv67rjb1jh02gmr1rzh2hg34h991ds82hit1e6d2hg96z1j2gnu2uww2ux3

UniProt数据库

Q49VH1Q2YSV2O94500Q91VD9Q99VY8P0C948A7WZ83Q7A722P42026Q0MQH3Q54NI6Q0MQG5A0KJ60A9R6L5Q82DT3

BRENDA数据库

1.8.5.41.1.5.121.8.5.82.1.1.2221.10.5.12.1.2.11.3.98.11.1.99.11.8.1.41.3.1.221.3.5.23.4.22.551.1.5.31.7.2.87.1.1.2

MetaCyc数据库

UBIQUINONE-10

PubMed文献链接

1878764513445756270122651719276518843432771835575992082036719426741866109534552554460117605305

Reaxys Registry

LIPID MAPS Instance

ACToR数据库

CompTox数据库

KEGG ID

KNApSAcK数据库

MetaboLights数据库

MTBLS1887MTBLS578MTBLS2145MTBLS2262

SABIO-RK数据库

1012313154

SureChEMBL数据库

SCHEMBL19858

Reactom Database

R-HSA-169270R-HSA-164651R-HSA-163213R-HSA-1614665R-HSA-73569R-HSA-163217

HMDB数据库

HMDB0001072

专利号

EP1700597EP1550450EP1698329WO2007086689

Rhea数据库

RHEA:61980RHEA:62608RHEA:61984RHEA:38359RHEA:52516

FooDB数据库

FDB013228

KEGG DRUG Database

D01065

Drug Central Database

4,607

VirtualMetabolicHuman数据库

q10

PDBeChem数据库

U10

数据登录号

化合物性质

安全信息

产品相关信息

理化性质

熔点

49-51 °C

化合物性质

分子相关蛋白质

分子图谱

暂无数据

点击上传数据

描述信息

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]

MP Biomedicals

02195108

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

Wikipedia

Coenzyme_Q10

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.

27595

Other Notes
Coenzyme Q.1

ChEBI

CHEBI:46245

A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration.

描述信息

参考文献

PubChem文献

数据源提供

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

参考文献

生物活性

PubChem BioAssay

生物活性

化合物信息

ID:73018