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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 chr10:528,961...655,179
Ensembl chr10:531,812...655,114 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases metabolic processing
multiple interactions		 EXP
ISO		 CYP3A2 protein results in increased metabolism of methoxy-morpholinyl-doxorubicin
[CYP3A4 protein co-treated with POR protein] results in increased metabolism of methoxy-morpholinyl-doxorubicin
CYP3A4 protein results in increased metabolism of methoxy-morpholinyl-doxorubicin		 CTD PMID:15465924 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008 		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 chr12:9,256,159...9,285,020
Ensembl chr12:9,254,475...9,285,030 		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 7:23,846,122...23,942,085
Ensembl chr 7:23,846,122...23,942,047 		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 chr12:20,951,058...20,999,198
Ensembl chr12:20,951,058...20,999,245 		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 chr20:6,298,785...6,363,970
Ensembl chr20:6,298,785...6,363,968 		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 1:81,196,532...81,212,848
Ensembl chr 1:81,196,532...81,212,847 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        antimicrobial agent 17818
          anthracycline antibiotic 7441
            nemorubicin 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      ketone 17115
                                        oxyketone 8775
                                          alpha-oxyketone 8775
                                            alpha-hydroxy ketone 8783
                                              primary alpha-hydroxy ketone 7659
                                                doxorubicin 7425
                                                  nemorubicin 7
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