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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
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Accession:CHEBI:83645 term browser browse the term
Definition:An organochlorine compound that is 2-chloroacetamide substituted by a (2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl) group at the nitrogen atom.
Synonyms:related_synonym: Formula=C15H22ClNO2;   InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3;   InChIKey=WVQBLGZPHOPPFO-UHFFFAOYSA-N;   SMILES=CCc1cccc(C)c1N(C(C)COC)C(=O)CCl
 xref: LINCS:LSM-4435;   PPDB:465


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metolachlor term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A increases activity
multiple interactions
ISO metolachlor results in increased activity of ABCB1 protein
ABCB1 protein affects the reaction [metolachlor results in increased susceptibility to Paclitaxel]
CTD PMID:18433974 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
JBrowse link
G Ar androgen receptor affects binding
multiple interactions
EXP
ISO
metolachlor binds to AR protein
metolachlor inhibits the reaction [[6-fluorotestosterone co-treated with Norgestrel] binds to and results in increased activity of AR protein]
CTD PMID:14565775 PMID:33049310 NCBI chr  X:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925
JBrowse link
G Ccna2 cyclin A2 decreases expression ISO metolachlor results in decreased expression of CCNA2 mRNA CTD PMID:23084262 NCBI chr 2:119,427,239...119,433,645
Ensembl chr 2:119,426,089...119,433,577
JBrowse link
G Cyp19a1 cytochrome P450, family 19, subfamily a, polypeptide 1 increases activity ISO metolachlor results in increased activity of CYP19A1 protein CTD PMID:16996190 NCBI chr 8:54,553,165...54,580,758
Ensembl chr 8:54,553,165...54,580,758
JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases activity
multiple interactions
ISO metolachlor results in increased activity of CYP1A1 protein
[CYP1A1 protein co-treated with CYP2B6 protein co-treated with CYP2C19 protein] results in decreased susceptibility to [norflurazone co-treated with metolachlor co-treated with Atrazine]; [CYP1A1 protein co-treated with CYP2B6 protein co-treated with CYP2C19 protein] results in decreased susceptibility to metolachlor
CTD PMID:10813365 PMID:16608219 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases activity ISO metolachlor results in increased activity of CYP1A2 protein CTD PMID:10813365 NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
JBrowse link
G Cyp2b1 cytochrome P450, family 2, subfamily b, polypeptide 1 increases activity EXP metolachlor results in increased activity of CYP2B1 protein CTD PMID:10813365 NCBI chr 1:81,518,387...81,544,999
Ensembl chr 1:81,518,408...81,542,052
JBrowse link
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 multiple interactions
increases metabolic processing
ISO [CYP1A1 protein co-treated with CYP2B6 protein co-treated with CYP2C19 protein] results in decreased susceptibility to [norflurazone co-treated with metolachlor co-treated with Atrazine]; [CYP1A1 protein co-treated with CYP2B6 protein co-treated with CYP2C19 protein] results in decreased susceptibility to metolachlor; CYP2B6 protein results in increased degradation of and results in decreased susceptibility to metolachlor; CYP2B6 protein results in increased metabolism of and results in decreased susceptibility to metolachlor
CYP2B6 protein results in increased metabolism of metolachlor
CTD PMID:11133395 PMID:15853388 PMID:16277416 PMID:16608219 NCBI chr 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143
JBrowse link
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 multiple interactions ISO [CYP1A1 protein co-treated with CYP2B6 protein co-treated with CYP2C19 protein] results in decreased susceptibility to [norflurazone co-treated with metolachlor co-treated with Atrazine]; [CYP1A1 protein co-treated with CYP2B6 protein co-treated with CYP2C19 protein] results in decreased susceptibility to metolachlor CTD PMID:16608219 NCBI chr 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases expression
increases metabolic processing
ISO metolachlor results in increased expression of CYP3A4 mRNA
CYP3A4 protein results in increased metabolism of metolachlor
CTD PMID:11133395 PMID:16565514 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Dio1 iodothyronine deiodinase 1 decreases activity ISO metolachlor results in decreased activity of DIO1 protein CTD PMID:29228274 NCBI chr 5:122,074,285...122,090,983
Ensembl chr 5:122,074,279...122,090,970
JBrowse link
G Esr1 estrogen receptor 1 multiple interactions ISO metolachlor binds to and results in increased activity of ESR1 protein CTD PMID:33049310 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
JBrowse link
G Esr2 estrogen receptor 2 multiple interactions ISO metolachlor binds to and results in increased activity of ESR2 protein CTD PMID:33049310 NCBI chr 6:94,858,438...94,909,630
Ensembl chr 6:94,809,547...94,908,919
JBrowse link
G Fshb follicle stimulating hormone subunit beta increases expression EXP metolachlor results in increased expression of FSHB protein CTD PMID:23724293 NCBI chr 3:93,548,560...93,552,370
Ensembl chr 3:93,548,560...93,552,370
JBrowse link
G Nfe2l2 nuclear factor, erythroid 2-like 2 increases activity ISO metolachlor results in increased activity of NFE2L2 protein CTD PMID:20143881 NCBI chr 3:60,594,239...60,621,785
Ensembl chr 3:60,594,242...60,621,737
JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions
increases activity
ISO metolachlor binds to and results in increased activity of NR1I2 protein
metolachlor results in increased activity of NR1I2 protein
CTD PMID:16565514 PMID:21115097 PMID:28728110 PMID:33049310 NCBI chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
JBrowse link
G Pparg peroxisome proliferator-activated receptor gamma multiple interactions ISO metolachlor binds to and results in increased activity of PPARG protein CTD PMID:33049310 NCBI chr 4:148,423,102...148,548,471
Ensembl chr 4:148,423,194...148,548,468
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    chemical entity 19821
      atom 19819
        nonmetal atom 19707
          oxygen atom 19445
            oxygen molecular entity 19445
              organooxygen compound 19014
                ether 16919
                  2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide 17
                    (R)-metolachlor + 17
                    (S)-metolachlor + 17
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic molecule 19569
                              organic cyclic compound 19360
                                carbocyclic compound 18314
                                  benzenoid aromatic compound 17458
                                    benzenes 17237
                                      2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide 17
                                        (R)-metolachlor + 17
                                        (S)-metolachlor + 17
paths to the root