Record Information |
---|
Version | 1.0 |
---|
Creation date | 2011-09-21 00:19:43 UTC |
---|
Update date | 2015-07-21 06:57:22 UTC |
---|
Primary ID | FDB022794 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | Ubiquinone Q1 |
---|
Description | Ubiquinone-1, also known as coenzyme Q1 or COQ1, belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). Ubiquinone-1 is an extremely weak basic (essentially neutral) compound (based on its pKa). |
---|
CAS Number | 727-81-1 |
---|
Structure | |
---|
Synonyms | Synonym | Source |
---|
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1,4-dione | ChEBI | 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 | ChEBI | Coenzyme Q1 | ChEBI | Coenzyme Q5 | ChEBI | CoQ1 | ChEBI | Ubiquinone Q1 | ChEBI | Ubiquinone-Q1 | HMDB | Ubiquionone 1 | HMDB | Ubiquinone 5 | HMDB | Coenzyme q5 | ChEBI | Ubiquinone 1 | hmdb | Ubiquinone-q1 | HMDB |
|
---|
Predicted Properties | |
---|
Chemical Formula | C14H18O4 |
---|
IUPAC name | 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione |
---|
InChI Identifier | 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 |
---|
InChI Key | SOECUQMRSRVZQQ-UHFFFAOYSA-N |
---|
Isomeric SMILES | COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O |
---|
Average Molecular Weight | 250.2903 |
---|
Monoisotopic Molecular Weight | 250.120509064 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Prenol lipids |
---|
Sub Class | Quinone and hydroquinone lipids |
---|
Direct Parent | Ubiquinones |
---|
Alternative Parents | |
---|
Substituents | - Ubiquinone skeleton
- Monoterpenoid
- Monocyclic monoterpenoid
- Quinone
- P-benzoquinone
- Vinylogous ester
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic homomonocyclic compound
|
---|
Molecular Framework | Aliphatic homomonocyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
|
Physiological effect | Health effect: |
---|
Disposition | Route of exposure: Source: Biological location: |
---|
Process | Naturally occurring process: |
---|
Role | Industrial application: Biological role: |
---|
Physico-Chemical Properties - Experimental |
---|
Physico-Chemical Properties - Experimental | Property | Value | Reference |
---|
Physical state | Solid | |
---|
Physical Description | Not Available | |
---|
Mass Composition | Not Available | |
---|
Melting Point | Not Available | |
---|
Boiling Point | Not Available | |
---|
Experimental Water Solubility | Not Available | |
---|
Experimental logP | Not Available | |
---|
Experimental pKa | Not Available | |
---|
Isoelectric point | Not Available | |
---|
Charge | Not Available | |
---|
Optical Rotation | Not Available | |
---|
Spectroscopic UV Data | Not Available | |
---|
Density | Not Available | |
---|
Refractive Index | Not Available | |
---|
|
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | Ubiquinone Q1, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00ri-6690000000-54c21ecf74c316617005 | Spectrum | Predicted GC-MS | Ubiquinone Q1, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Ubiquinone Q1, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0190000000-e28dd9a4e1e31fde0aaa | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0frt-4790000000-e9b4aa7330c158e93f74 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0pw9-9400000000-984285464810c9d07a1a | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0190000000-d560b9e909b6d771b748 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-0890000000-173d3724196ddfd71b38 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001r-8940000000-6ddd0c7bdddc6aa7ff07 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0290000000-9e5c50e003ff846d2547 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udj-0790000000-8a23daff690e754ae6d3 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05o3-9510000000-3f25dec2fa15314807a9 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-0090000000-18320cb565cfb33802ea | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00kb-0190000000-dc8c85f383835f5a9e04 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pdm-5950000000-0fe5b45bd4eebb786711 | 2021-09-24 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 4307 |
---|
ChEMBL ID | CHEMBL1236594 |
---|
KEGG Compound ID | C00399 |
---|
Pubchem Compound ID | 4462 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | 46234 |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | DB08689 |
---|
HMDB ID | HMDB02012 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | HPW46-V:NBH35-O |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
HET ID | UQ1 |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
Food | Content Range | Average | Reference |
---|
Food | | | Reference |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Name | Gene Name | UniProt ID |
---|
NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1 | NDUFB1 | O75438 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12 | NDUFA12 | Q9UI09 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 1 | NDUFA1 | O15239 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4-like 2 | NDUFA4L2 | Q9NRX3 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 3 | NDUFA3 | O95167 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 8 | NDUFA8 | P51970 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 4 | NDUFA4 | O00483 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11 | NDUFA11 | Q86Y39 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6 | NDUFA6 | P56556 | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4 | NDUFB4 | O95168 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 7 | NDUFA7 | O95182 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2 | NDUFA2 | O43678 | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial | NDUFB5 | O43674 | NADH dehydrogenase [ubiquinone] 1 subunit C2 | NDUFC2 | O95298 | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 3 | NDUFB3 | O43676 | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7 | NDUFB7 | P17568 | Acyl carrier protein, mitochondrial | NDUFAB1 | O14561 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 | NDUFA5 | Q16718 | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 | NDUFB9 | Q9Y6M9 | NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13 | NDUFA13 | Q9P0J0 | Cytochrome b-c1 complex subunit Rieske, mitochondrial | UQCRFS1 | P47985 | NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 11, mitochondrial | NDUFB11 | Q9NX14 | NADH dehydrogenase (Ubiquinone) 1 beta subcomplex, 2, 8kDa | NDUFB2 | A4D1T5 | Cytochrome b-c1 complex subunit 7 | UQCRB | P14927 | Cytochrome b-c1 complex subunit 8 | UQCRQ | O14949 |
|
---|
Pathways | |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Not Available |
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | |
---|