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

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ubiquinone-2

	Properties	Image
MNX_ID	MNXM723089
reference	chebi:46372
formula	C₁₉H₂₆O₄
global charge	0
mol weight	318.413
InChIKey	SQQWBSBBCSFQGC-JLHYYAGUSA-N
InChI	InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
SMILES	COC1=C(OC)C(=O)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O

MNX internals

InChI (mnx)	InChI=1/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
SMILES (mnx)	[CH3:1][C:12]([CH3:2])=[CH:8][CH2:7][CH2:9]/[C:13]([CH3:3])=[CH:10]/[CH2:11][C:15]1=[C:14]([CH3:4])[C:16](=[O:20])[C:18]([O:22][CH3:5])=[C:19]([O:23][CH3:6])[C:17]1=[O:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	62
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:46372 chebi:46372 SQQWBSBBCSFQGC-JLHYYAGUSA-N	ubiquinone-2 (E)-2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione UBIQUINONE-2 ubiquinone 10
seed.compound:cpd11669 seedM:cpd11669	Q CoQ Coenzyme Q Ubiquinone q
sabiork.compound:26503 sabiorkM:26503 SQQWBSBBCSFQGC-JLHYYAGUSA-N	Ubiquinone-2
hmdb:HMDB0006709 SQQWBSBBCSFQGC-JLHYYAGUSA-N	Ubiquinone-2 (e)-2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone 2,3-Dimethoxy-5-geranyl-6-methyl-1,4-benzoquinone 2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl- P-benzoquinone 2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-2,5-cyclohexadiene-1,4-dione 2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5,6-dimethoxy-3-methyl- P-benzoquinone 2-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione CoQ Coenzyme Q Coenzyme Q2 Q Q 2 Ubiquinone 10 Ubiquinone 2 Ubiquinone Q2 Ubiquinone Q2, (e)-isomer coenzyme-Q
sabiork.compound:2039 sabiorkM:2039 SQQWBSBBCSFQGC-JLHYYAGUSA-N	Ubiquinone CoQ Coenzyme Q Q
seed.compound:cpd28290 seedM:cpd28290 SQQWBSBBCSFQGC-JLHYYAGUSA-N	ubiquinone-2
metacyc.compound:UBIQUINONE-2 metacycM:UBIQUINONE-2 SQQWBSBBCSFQGC-JLHYYAGUSA-N	ubiquinone-2 UQ2
hmdb:HMDB06709 seedM:M_cpd11669 seedM:M_cpd28290	secondary/obsolete/fantasy identifier