MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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ubiquinone-1

	Properties	Image
MNX_ID	MNXM113802
reference	chebi:46234
formula	C₁₄H₁₈O₄
global charge	0
mol weight	250.294
InChIKey	SOECUQMRSRVZQQ-UHFFFAOYSA-N
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
SMILES	COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O

MNX internals

InChI (mnx)	InChI=1/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
SMILES (mnx)	[CH3:1][C:8]([CH3:2])=[CH:6][CH2:7][C:10]1=[C:9]([CH3:3])[C:11](=[O:15])[C:13]([O:17][CH3:4])=[C:14]([O:18][CH3:5])[C:12]1=[O:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:46234 chebi:46234 SOECUQMRSRVZQQ-UHFFFAOYSA-N	ubiquinone-1 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1,4-dione 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)-1,4-benzoquinone 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzo-1,4-quinone CoQ1 UBIQUINONE-1 coenzyme Q1 coenzyme Q5 ubiquinone Q1
sabiork.compound:18768 sabiorkM:18768 SOECUQMRSRVZQQ-UHFFFAOYSA-N	2,3-Dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-1,4-benzoquinone
sabiork.compound:26504 sabiorkM:26504 SOECUQMRSRVZQQ-UHFFFAOYSA-N	Ubiquinone-1
hmdb:HMDB0002012 SOECUQMRSRVZQQ-UHFFFAOYSA-N	Ubiquinone-1 2,3-Dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1,4-dione 2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)-1,4-benzoquinone 2,3-Dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzo-1,4-quinone 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione CoQ1 Coenzyme Q1 Coenzyme Q5 Ubiquinone 5 Ubiquinone Q1 Ubiquinone-Q1 Ubiquionone 1 ubiquinone-1
seed.compound:cpd25985 seedM:cpd25985 SOECUQMRSRVZQQ-UHFFFAOYSA-N	ubiquinone-1
metacyc.compound:CPD0-1118 metacycM:CPD0-1118 SOECUQMRSRVZQQ-UHFFFAOYSA-N	ubiquinone-1 UQ1
hmdb:HMDB02012 chebi:39438 chebi:46231 seedM:M_cpd25985	secondary/obsolete/fantasy identifier