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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 chr10:1,022,041...1,162,431
Ensembl chr10:1,038,947...1,162,404 		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 chr12:14,321,771...14,343,886
Ensembl chr12:14,321,771...14,343,857 		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 chr12:14,369,950...14,398,803
Ensembl chr12:14,368,266...14,398,813 		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 7:25,733,471...25,829,440
Ensembl chr 7:25,733,471...25,829,389 		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 chr12:26,587,674...26,655,612
Ensembl chr12:26,587,674...26,635,809 		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 chr20:6,300,527...6,365,707
Ensembl chr20:6,352,183...6,365,707 		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 1:90,324,312...90,340,627
Ensembl chr 1:90,324,046...90,340,899 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      biological role 20818
        antimicrobial agent 18578
          anthracycline antibiotic 7635
            nemorubicin 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            organic hydride 19079
                              organic fundamental parent 19079
                                hydrocarbon 18731
                                  cyclic hydrocarbon 17330
                                    arene 17311
                                      polycyclic arene 17112
                                        ortho-fused polycyclic arene 9959
                                          acene 7855
                                            tetracene 7852
                                              doxorubicin 7631
                                                nemorubicin 7
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