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

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clofibrate

	Properties	Image
MNX_ID	MNXM47263
reference	chebi:3750
formula	C₁₂H₁₅ClO₃
global charge	0
mol weight	242.702
InChIKey	KNHUKKLJHYUCFP-UHFFFAOYSA-N
InChI	InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
SMILES	CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1

MNX internals

InChI (mnx)	InChI=1/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
SMILES (mnx)	[CH3:1][CH2:4][O:15][C:11]([C:12]([CH3:2])([CH3:3])[O:16][C:10]1=[CH:8][CH:6]=[C:9]([Cl:13])[CH:5]=[CH:7]1)=[O:14]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3750 chebi:3750 KNHUKKLJHYUCFP-UHFFFAOYSA-N	clofibrate 2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester 2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester Atromid-S Clofibrate ELPI EPIB Ethyl 2-(p-chlorophenoxy)isobutyrate Ethyl chlorophenoxyisobutyrate Ethyl clofibrate Lipofacton Liprin alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester alpha-p-Chlorophenoxyisobutyryl ethyl ester clofibrato clofibratum ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
seed.compound:cpd04259 seedM:cpd04259 sabiork.compound:9039 sabiorkM:9039 kegg.compound:C06916 keggC:C06916 KNHUKKLJHYUCFP-UHFFFAOYSA-N	Clofibrate
kegg.drug:D00279 keggD:D00279 KNHUKKLJHYUCFP-UHFFFAOYSA-N	Clofibrate (JP18/USP/INN) Atromid-S (TN)
hmdb:HMDB0014774 KNHUKKLJHYUCFP-UHFFFAOYSA-N	Clofibrate 2-(4-Chlorophenoxy)-2-methylpropanoate ethyl ester 2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester 2-(p-Chlorophenoxy)-2-methylpropionate ethyl ester 2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester Athromidin Atromid Atromid S Atromid-S CPIB Chlorfenisate Chlorophenoxyisobutyrate, ethyl Chlorphenisate Clofibate Clofibrato Clofibratum Clofibric acid Clofibric acid, ethyl ester ELPI EPIB Ethyl 2-(p-chlorophenoxy)isobutyrate Ethyl 2-(p-chlorophenoxy)isobutyric acid Ethyl chlorophenoxyisobutyrate Ethyl chlorophenoxyisobutyric acid Ethyl clofibrate Ethyl clofibric acid Ethyl p-chlorophenoxyisobutyrate Ethyl para-chlorophenoxyisobutyrate Lipofacton Liprin Miscleron Miskleron a-(p-Chlorophenoxy)isobutyrate, ethyl ester a-(p-Chlorophenoxy)isobutyric acid, ethyl ester a-p-Chlorophenoxyisobutyryl ethyl ester alpha-(p-Chlorophenoxy)isobutyrate, ethyl ester alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester alpha-(p-chlorophenoxy)isobutyrate, ethyl ester alpha-(p-chlorophenoxy)isobutyric acid, ethyl ester alpha-p-Chlorophenoxyisobutyryl ethyl ester alpha-p-chlorophenoxyisobutyryl ethyl ester artes ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
envipath:...4de06115e856 envipathM:...4de06115e856 envipath:...7802320323ea envipathM:...7802320323ea envipath:...b0c5869fc36c envipathM:...b0c5869fc36c envipath:...bb606b2d0870 envipathM:...bb606b2d0870 envipath:...86bc970635ca envipathM:...86bc970635ca envipath:...49e98988ab3e envipathM:...49e98988ab3e KNHUKKLJHYUCFP-UHFFFAOYSA-N	compound 0059474
hmdb:HMDB14774 keggC:M_C06916 keggD:M_D00279 seedM:M_cpd04259	secondary/obsolete/fantasy identifier