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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 chr12:9,207,978...9,230,064
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
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 19918
    role 19894
      biological role 19892
        antimicrobial agent 18166
          anthracycline antibiotic 7577
            nemorubicin 7
Path 2
Term Annotations click to browse term
  CHEBI ontology 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            organic group 18995
                              organic divalent group 18969
                                organodiyl group 18969
                                  carbonyl group 18922
                                    carbonyl compound 18922
                                      ketone 17210
                                        oxyketone 8903
                                          alpha-oxyketone 8903
                                            alpha-hydroxy ketone 8903
                                              primary alpha-hydroxy ketone 7794
                                                doxorubicin 7573
                                                  nemorubicin 7
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