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

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4-chlorophenylacetate

	Properties	Image
MNX_ID	MNXM1801
reference	chebi:16237
formula	C₈H₆ClO₂
global charge	-1
mol weight	169.587
InChIKey	CDPKJZJVTHSESZ-UHFFFAOYSA-M
InChI	InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1
SMILES	O=C([O-])CC1=CC=C(Cl)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([Cl:9])=[CH:4][CH:2]=[C:6]1[CH2:5][C:8](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16237 chebi:16237 CDPKJZJVTHSESZ-UHFFFAOYSA-M	4-chlorophenylacetate (4-chlorophenyl)acetate
vmhM:4chpheac vmhmetabolite:4chpheac CDPKJZJVTHSESZ-UHFFFAOYSA-M	4-Chlorophenyl acetate
envipath:...e20bf560a879 envipathM:...e20bf560a879 CDPKJZJVTHSESZ-UHFFFAOYSA-M	4-Chlorophenylacetate
seed.compound:cpd01972 seedM:cpd01972 CDPKJZJVTHSESZ-UHFFFAOYSA-M	4-Chlorophenylacetate 4-Chlorophenyl acetate 4-Chlorophenyl acetic acid 4-Chlorophenylacetic acid 4-chlorophenyl acetate 4-chlorophenyl acetic acid 4-chlorophenylacetate 4-chlorophenylacetic acid
kegg.compound:C03077 keggC:C03077 CDPKJZJVTHSESZ-UHFFFAOYSA-N	4-Chlorophenylacetate 4-Chlorophenylacetic acid
hmdb:HMDB0246401 CDPKJZJVTHSESZ-UHFFFAOYSA-N	4-Chlorophenylacetic acid (4-chlorophenyl)acetic acid (p-Chlorophenyl)acetate (p-Chlorophenyl)acetic acid 2-(4-chlorophenyl)acetic acid 4-Chlorobenzeneacetate 4-Chlorobenzeneacetic acid 4-Chlorophenylacetate 4-Chlorophenylacetic acid, potassium salt 4-Chlorophenylacetic acid, sodium salt p-Chlorophenylacetate p-Chlorophenylacetic acid
metacyc.compound:CPD-1786 metacycM:CPD-1786 CDPKJZJVTHSESZ-UHFFFAOYSA-M	4-chlorophenylacetate 4-chlorophenyl acetate 4-chlorophenyl acetic acid 4-chlorophenylacetic acid
CHEBI:30749 chebi:30749 CDPKJZJVTHSESZ-UHFFFAOYSA-N	4-chlorophenylacetic acid (4-chlorophenyl)acetic acid (p-chlorophenyl)acetic acid 4-Chlorophenylacetic acid 4-chlorobenzeneacetic acid p-chlorophenylacetic acid
envipath:...6dab63a2f548 envipathM:...6dab63a2f548 CDPKJZJVTHSESZ-UHFFFAOYSA-M	compound 0065746
chebi:11975 chebi:11976 chebi:1809 chebi:20342 chebi:20343 keggC:M_C03077 seedM:M_cpd01972 vmhM:M_4chpheac	secondary/obsolete/fantasy identifier