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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:heptan-3-one
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Accession:CHEBI:50139 term browser browse the term
Definition:A dialkyl ketone with butyl and ethyl as the two alkyl groups.
Synonyms:related_synonym: 3-Heptanone;   Aethylbutylketon;   Butyl ethyl ketone;   Ethylbutylcetone;   Formula=C7H14O;   InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3;   InChIKey=NGAZZOYFWWSOGK-UHFFFAOYSA-N;   SMILES=CCCCC(=O)CC;   n-Butyl ethyl ketone
 xref: Beilstein:506161;   CAS:106-35-4;   HMDB:HMDB0031482;   PMID:22284503;   PMID:23870484;   Reaxys:506161;   Wikipedia:3-Heptanone


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methadone 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 expression
affects activity
ISO Methadone results in increased expression of ABCB1 protein
Methadone affects the activity of ABCB1 protein
CTD PMID:19840843 NCBI chr 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Abcb1b ATP-binding cassette, subfamily B (MDR/TAP), member 1B affects activity
increases expression
EXP Methadone affects the activity of ABCB1B protein
Methadone results in increased expression of ABCB1B protein
CTD PMID:19840843 NCBI chr 4:22,225,123...22,307,577
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Bax BCL2 associated X, apoptosis regulator affects localization ISO Methadone affects the localization of BAX protein CTD PMID:20691259 NCBI chr 1:101,451,801...101,457,207
Ensembl chr 1:101,451,802...101,457,207
JBrowse link
G Ccl2 C-C motif chemokine ligand 2 increases secretion EXP Methadone results in increased secretion of CCL2 protein CTD PMID:20178837 NCBI chr10:69,412,065...69,413,863
Ensembl chr10:69,412,017...69,413,870
JBrowse link
G Ccl3 C-C motif chemokine ligand 3 increases secretion EXP Methadone results in increased secretion of CCL3 protein CTD PMID:20178837 NCBI chr10:70,869,516...70,871,066
Ensembl chr10:70,869,513...70,871,066
JBrowse link
G Cx3cl1 C-X3-C motif chemokine ligand 1 increases secretion EXP Methadone results in increased secretion of CX3CL1 protein CTD PMID:20178837 NCBI chr19:10,644,267...10,654,861
Ensembl chr19:10,644,244...10,653,800
JBrowse link
G Cxcl1 C-X-C motif chemokine ligand 1 increases secretion EXP Methadone results in increased secretion of CXCL1 protein CTD PMID:20178837 NCBI chr14:18,743,678...18,745,457
Ensembl chr14:18,743,685...18,745,457
JBrowse link
G Cycs cytochrome c, somatic affects localization ISO Methadone affects the localization of CYCS protein CTD PMID:20691259 NCBI chr 4:80,331,226...80,333,326
Ensembl chr 4:80,331,227...80,333,326
JBrowse link
G Cyp19a1 cytochrome P450, family 19, subfamily a, polypeptide 1 multiple interactions
affects metabolic processing
ISO Aminoglutethimide inhibits the reaction [CYP19A1 protein affects the metabolism of Methadone]; formestane inhibits the reaction [CYP19A1 protein affects the metabolism of Methadone] CTD PMID:15242824 NCBI chr 8:58,744,849...58,772,408
Ensembl chr 8:58,744,849...58,772,408
JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 increases metabolic processing
decreases activity
ISO CYP2D22 protein results in increased metabolism of Methadone
Methadone results in decreased activity of CYP2D6 protein
CTD PMID:16595712 NCBI chr 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
JBrowse link
G Drd2 dopamine receptor D2 multiple interactions EXP Methadone affects the reaction [Cocaine affects the expression of DRD2 mRNA] CTD PMID:18990547 NCBI chr 8:53,678,777...53,743,643
Ensembl chr 8:53,678,777...53,743,642
JBrowse link
G Hcrt hypocretin neuropeptide precursor multiple interactions EXP Methadone affects the reaction [Cocaine affects the expression of HCRT mRNA] CTD PMID:18990547 NCBI chr10:88,669,216...88,670,430
Ensembl chr10:88,669,214...88,670,430
JBrowse link
G Il10 interleukin 10 increases secretion EXP Methadone results in increased secretion of IL10 protein CTD PMID:20178837 NCBI chr13:47,738,933...47,743,392
Ensembl chr13:47,739,526...47,743,392
JBrowse link
G Il1a interleukin 1 alpha increases expression EXP Methadone results in increased expression of IL1A protein CTD PMID:20178837 NCBI chr 3:121,824,712...121,836,122
Ensembl chr 3:121,825,412...121,836,086
JBrowse link
G Il1b interleukin 1 beta increases secretion
increases expression
EXP Methadone results in increased secretion of IL1B protein
Methadone results in increased expression of IL1B protein
CTD PMID:20178837 NCBI chr 3:121,876,256...121,882,637
Ensembl chr 3:121,876,263...121,882,726
JBrowse link
G Il2 interleukin 2 decreases expression ISO Methadone results in decreased expression of IL2 mRNA CTD PMID:23965172 NCBI chr 2:123,847,150...123,851,854
Ensembl chr 2:123,847,150...123,851,854
JBrowse link
G Il4 interleukin 4 increases expression
multiple interactions
ISO Methadone results in increased expression of IL4 mRNA; Methadone results in increased expression of IL4 protein
CTAP octapeptide inhibits the reaction [Methadone results in increased expression of IL4 mRNA]; SB 203580 inhibits the reaction [Methadone results in increased expression of IL4 mRNA]
CTD PMID:23965172 NCBI chr10:38,963,979...38,969,531
Ensembl chr10:38,963,979...38,969,531
JBrowse link
G Il6 interleukin 6 increases expression
increases secretion
EXP Methadone results in increased expression of IL6 mRNA; Methadone results in increased expression of IL6 protein
Methadone results in increased secretion of IL6 protein
CTD PMID:20178837 NCBI chr 4:3,043,231...3,047,807
Ensembl chr 4:3,043,231...3,047,807
JBrowse link
G Ins2 insulin 2 decreases response to substance ISO Methadone results in decreased susceptibility to INS protein CTD PMID:2554359 NCBI chr 1:215,856,967...215,858,034
Ensembl chr 1:215,856,971...215,858,034
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 multiple interactions
decreases activity
ISO Chlorobutanol promotes the reaction [Methadone results in decreased activity of KCNH2 protein] CTD PMID:14527710 NCBI chr 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
JBrowse link
G Lep leptin increases expression ISO Methadone results in increased expression of LEP protein CTD PMID:15717844 NCBI chr 4:56,337,695...56,351,818
Ensembl chr 4:56,337,695...56,351,818
JBrowse link
G Mapk1 mitogen activated protein kinase 1 increases phosphorylation ISO Methadone results in increased phosphorylation of MAPK1 protein CTD PMID:23965172 NCBI chr11:88,203,863...88,273,301
Ensembl chr11:88,211,599...88,273,254
JBrowse link
G Mapk3 mitogen activated protein kinase 3 increases phosphorylation ISO Methadone results in increased phosphorylation of MAPK3 protein CTD PMID:23965172 NCBI chr 1:198,192,773...198,198,975
Ensembl chr 1:198,192,773...198,198,975
JBrowse link
G Nfkbia NFKB inhibitor alpha increases expression ISO Methadone results in increased expression of NFKBIA protein CTD PMID:22258905 NCBI chr 6:76,267,227...76,270,457
Ensembl chr 6:76,267,228...76,270,457
JBrowse link
G Oprd1 opioid receptor, delta 1 affects binding
multiple interactions
EXP Methadone binds to OPRD1 protein
[Methadone binds to OPRD1 protein] which results in decreased uptake of Norepinephrine; [Methadone binds to OPRD1 protein] which results in decreased uptake of Serotonin
CTD PMID:7562497 NCBI chr 5:150,288,126...150,323,063
Ensembl chr 5:150,288,126...150,323,063
JBrowse link
G Oprk1 opioid receptor, kappa 1 affects binding
multiple interactions
EXP Methadone binds to OPRK1 protein
[Methadone binds to OPRK1 protein] which results in decreased uptake of Norepinephrine; [Methadone binds to OPRK1 protein] which results in decreased uptake of Serotonin
CTD PMID:7562497 NCBI chr 5:13,742,655...13,760,460
Ensembl chr 5:13,744,658...13,760,305
JBrowse link
G Oprm1 opioid receptor, mu 1 multiple interactions
affects binding
EXP [Methadone binds to OPRM1 protein] which results in decreased uptake of Norepinephrine; [Methadone binds to OPRM1 protein] which results in decreased uptake of Serotonin CTD PMID:7562497 NCBI chr 1:43,454,803...43,704,948
Ensembl chr 1:43,454,803...43,704,948
JBrowse link
G Pld2 phospholipase D2 increases activity ISO Methadone results in increased activity of PLD2 protein CTD PMID:23965172 NCBI chr10:57,161,921...57,181,148
Ensembl chr10:57,163,174...57,179,730
JBrowse link
G Prl prolactin affects secretion
increases secretion
increases expression
ISO Methadone affects the secretion of PRL protein
Methadone results in increased secretion of PRL protein
Methadone results in increased expression of PRL protein
CTD PMID:2554359, PMID:16675813, PMID:21094671 NCBI chr17:39,814,236...39,824,299
Ensembl chr17:39,814,244...39,824,299
JBrowse link
G Tlr4 toll-like receptor 4 affects binding
increases expression
affects response to substance
multiple interactions
ISO
EXP
Methadone binds to TLR4 protein
Methadone results in increased expression of TLR4 mRNA; Methadone results in increased expression of TLR4 protein
Methadone affects the susceptibility to TLR4 protein
Naloxone affects the reaction [Methadone binds to TLR4 protein]
CTD PMID:20178837 NCBI chr 5:82,587,424...82,601,056
Ensembl chr 5:82,587,420...82,601,052
JBrowse link
G Tnf tumor necrosis factor increases secretion
increases expression
EXP Methadone results in increased secretion of TNF protein
Methadone results in increased expression of TNF protein
CTD PMID:20178837 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        indicator 8649
          biomarker 6423
            heptan-3-one 31
              methadone + 31
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      ketone 16144
                                        dialkyl ketone 42
                                          heptan-3-one 31
                                            methadone + 31
paths to the root

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.