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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:nemorubicin
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Accession:CHEBI:42053 term browser browse the term
Definition:An anthracycline antibiotic that has formula C32H37NO13.
Synonyms:exact_synonym: (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2S)-2-methoxymorpholin-4-yl]-alpha-L-lyxo-hexopyranoside
 related_synonym: (1S,3S)-3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-((S)-2-methoxymorpholino)-alpha-L-lyxo-hexopyranoside;   3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-DOXORUBICIN;   3'-deamino-3'-(2-methoxymorpholin-4-yl)doxorubicin;   Formula=C32H37NO13;   InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1;   InChIKey=CTMCWCONSULRHO-UHQPFXKFSA-N;   Methoxymorpholino-doxorubicin;   Methoxymorpholinyl doxorubicin;   SMILES=CO[C@@H]1CN(CCO1)[C@H]1C[C@@H](O[C@@H](C)[C@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(=O)CO
 xref: CAS:108852-90-0
 xref_mesh: MESH:C066998
 xref: PDBeChem:DMM


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nemorubicin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcc1 ATP binding cassette subfamily C member 1 multiple interactions ISO methoxy-morpholinyl-doxorubicin binds to and affects the folding of ABCC1 protein CTD PMID:11278000 NCBI chr10:549,537...672,235
Ensembl chr10:549,883...672,196
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases metabolic processing EXP CYP3A2 protein results in increased metabolism of methoxy-morpholinyl-doxorubicin CTD PMID:15465924 NCBI chr12:11,641,500...11,677,818
Ensembl chr12:11,655,402...11,733,136
JBrowse link
G Cyp3a23-3a1 cytochrome P450, family 3, subfamily a, polypeptide 23-polypeptide 1 increases metabolic processing EXP CYP3A23-3A1 protein results in increased metabolism of methoxy-morpholinyl-doxorubicin CTD PMID:15465924 NCBI chr12:11,053,888...11,082,742
Ensembl chr12:11,655,402...11,733,136
JBrowse link
G Nr1h4 nuclear receptor subfamily 1, group H, member 4 decreases activity
multiple interactions
ISO methoxy-morpholinyl-doxorubicin results in decreased activity of NR1H4 protein
methoxy-morpholinyl-doxorubicin inhibits the reaction [pregna-4,17-diene-3,16-dione results in decreased activity of NR1H4 protein]
CTD PMID:25257666 NCBI chr 7:30,003,429...30,162,095
Ensembl chr 7:30,003,429...30,162,056
JBrowse link
G Por cytochrome p450 oxidoreductase multiple interactions ISO [CYP3A4 protein co-treated with POR protein] results in increased metabolism of methoxy-morpholinyl-doxorubicin CTD PMID:15465924 NCBI chr12:23,998,411...24,017,063
Ensembl chr12:23,998,411...24,046,814
JBrowse link
G Ppard peroxisome proliferator-activated receptor delta decreases activity ISO methoxy-morpholinyl-doxorubicin results in decreased activity of PPARD protein CTD PMID:25257666 NCBI chr20:7,818,289...7,883,482
Ensembl chr20:7,818,289...7,885,333
JBrowse link
G Tgfb1 transforming growth factor, beta 1 decreases activity ISO nemorubicin results in decreased activity of TGFB1 protein CTD PMID:31652400 NCBI chr 1:82,480,875...82,497,196
Ensembl chr 1:82,480,195...82,497,199
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        antimicrobial agent 17309
          anthracycline antibiotic 7346
            nemorubicin 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18493
                              organic divalent group 18486
                                organodiyl group 18486
                                  carbonyl group 18389
                                    carbonyl compound 18389
                                      ketone 16140
                                        oxyketone 8629
                                          alpha-oxyketone 8629
                                            alpha-hydroxy ketone 8629
                                              primary alpha-hydroxy ketone 7514
                                                doxorubicin 7338
                                                  nemorubicin 7
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