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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, sub-family C (CFTR/MRP), member 1 multiple interactions ISO methoxy-morpholinyl-doxorubicin binds to and affects the folding of ABCC1 protein CTD PMID:11278000 NCBI chr16:14,179,317...14,292,743
Ensembl chr16:14,179,422...14,293,601
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 chr10:89,290,096...89,369,484
Ensembl chr10:89,290,096...89,369,447
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 chr 5:135,698,894...135,764,180
Ensembl chr 5:135,698,887...135,764,180
JBrowse link
G Ppard peroxisome proliferator activator receptor delta decreases activity ISO methoxy-morpholinyl-doxorubicin results in decreased activity of PPARD protein CTD PMID:25257666 NCBI chr17:28,451,657...28,520,446
Ensembl chr17:28,451,674...28,520,448
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 7:25,386,406...25,404,503
Ensembl chr 7:25,386,427...25,404,502
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21873
    role 21858
      biological role 21856
        antimicrobial agent 18798
          anthracycline antibiotic 7522
            nemorubicin 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 21873
    subatomic particle 21863
      composite particle 21863
        hadron 21863
          baryon 21863
            nucleon 21863
              atomic nucleus 21863
                atom 21863
                  main group element atom 21785
                    p-block element atom 21785
                      carbon group element atom 21593
                        carbon atom 21514
                          organic molecular entity 21514
                            organic group 20022
                              organic divalent group 20009
                                organodiyl group 20009
                                  carbonyl group 20002
                                    carbonyl compound 20002
                                      ketone 17925
                                        oxyketone 8917
                                          alpha-oxyketone 8917
                                            alpha-hydroxy ketone 8917
                                              primary alpha-hydroxy ketone 7750
                                                doxorubicin 7516
                                                  nemorubicin 5
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