ubiquinone-1 (CHEBI:46234)

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CHEBI:46234 - ubiquinone-1

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ChEBI Name	ubiquinone-1

ChEBI ID	CHEBI:46234

Definition	A compound composed of the standard 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of a single isoprenoid unit.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:39438, CHEBI:46231

Supplier Information	eMolecules:536462, ZINC000001559692

Download	Molfile XML SDF

more structures >>

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Marvin 09070709133D

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Time for openFile(

Marvin 09070709133D

36 36 0 0 0 0 999 V2000

0.0097 0.2252 0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.0034 -0.5552 1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.2990 1.3014 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.3143 -0.2428 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.6036 1.6246 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.5975 0.8025 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0

0.5708 1.9617 -0.8323 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.2697 -0.8588 1.1679 O 0 0 0 0 0 0 0 0 0 0 0 0

-4.2972 0.4395 -1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.7396 -1.7194 1.9064 C 0 0 0 0 0 0 0 0 0 0 0 0

1.4342 -0.0582 0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0

2.0135 -0.9964 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0

3.2697 -1.4884 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0

3.7239 -2.4260 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0

4.2160 -1.1078 0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.8786 2.6646 -1.1872 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.7615 0.9977 -0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.0048 3.8863 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0

-5.3231 0.7892 -1.7506 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.3160 -0.6516 -1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.7491 0.7199 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.2630 -1.4071 2.8374 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0890 -2.4296 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.6157 -2.2949 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0

1.5848 -0.4173 1.8272 H 0 0 0 0 0 0 0 0 0 0 0 0

2.0336 0.8570 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0

1.4213 -1.2929 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0

2.9742 -2.6779 -1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0

4.0267 -3.3647 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0

4.5795 -2.0073 -1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0

5.1984 -1.5712 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0

3.8349 -1.4007 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0

4.3744 -0.0273 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.2133 4.6012 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.0933 4.2073 -0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8338 3.9176 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0

2 1 2 0 0 0 0

3 1 1 0 0 0 0

4 2 1 0 0 0 0

5 3 1 0 0 0 0

6 4 1 0 0 0 0

6 5 2 0 0 0 0

7 3 2 0 0 0 0

8 4 2 0 0 0 0

16 5 1 0 0 0 0

17 6 1 0 0 0 0

9 17 1 0 0 0 0

10 2 1 0 0 0 0

11 1 1 0 0 0 0

12 11 1 0 0 0 0

13 12 2 0 0 0 0

14 13 1 0 0 0 0

15 13 1 0 0 0 0

16 18 1 0 0 0 0

9 19 1 0 0 0 0

9 20 1 0 0 0 0

9 21 1 0 0 0 0

10 22 1 0 0 0 0

10 23 1 0 0 0 0

10 24 1 0 0 0 0

11 25 1 0 0 0 0

11 26 1 0 0 0 0

12 27 1 0 0 0 0

14 28 1 0 0 0 0

14 29 1 0 0 0 0

14 30 1 0 0 0 0

15 31 1 0 0 0 0

15 32 1 0 0 0 0

15 33 1 0 0 0 0

18 34 1 0 0 0 0

18 35 1 0 0 0 0

18 36 1 0 0 0 0

M END): 22 ms

reading 36 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

36 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Formula

C14H18O4

Net Charge

Average Mass

250.29032

Monoisotopic Mass

250.12051

InChI

InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3

InChIKey

SOECUQMRSRVZQQ-UHFFFAOYSA-N

SMILES

COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via ubiquinones ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via ubiquinones )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	ubiquinone-1 (CHEBI:46234) is a ubiquinones (CHEBI:16389)

IUPAC Name

2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Synonyms	Sources
2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1,4-dione	ChemIDplus
2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)-1,4-benzoquinone	ChEBI
2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzo-1,4-quinone	PDBeChem
coenzyme Q₁	ChemIDplus
coenzyme Q₅	ChemIDplus
CoQ₁	ChemIDplus
ubiquinone Q₁	ChemIDplus
UBIQUINONE-1	PDBeChem
ubiquinone-1	UniProt

Manual Xrefs	Databases
DB08689	DrugBank
UQ1	PDBeChem
View more database links

Registry Numbers	Types	Sources
1883774	Beilstein Registry Number	Beilstein
727-81-1	CAS Registry Number	ChemIDplus

Citation

Dragan M, Dixon SJ, Jaworski E, Chan TS, O'brien PJ, Wilson JX (2006)
Coenzyme Q(1) depletes NAD(P)H and impairs recycling of ascorbate in astrocytes.
Brain research 1078, 9-18 [PubMed:16499885]
[show Abstract]

Last Modified

10 January 2022

CHEBI:46234 - ubiquinone-1

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