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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:retaspimycin(1+)
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Accession:CHEBI:71974 term browser browse the term
Definition:An organic cation obtained by protonation of retaspimycin.
Synonyms:related_synonym: Formula=C31H46N3O8;   InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/p+1/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1;   InChIKey=OAKGNIRUXAZDQF-TXHRRWQRSA-O;   SMILES=[H+].CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)\\C(C)=C\\C=C/[C@H](OC)[C@@H](OC(N)=O)\\C(C)=C\\[C@H](C)[C@H]1O)cc(O)c2NCC=C;   retaspimycin cation
 cyclic_relationship: is_conjugate_acid_of CHEBI:71975

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          organic ion 0
            organic cation 0
              retaspimycin(1+) 0
                retaspimycin hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      p-block molecular entity 0
                        carbon group molecular entity 0
                          organic molecular entity 0
                            organic ion 0
                              organic cation 0
                                retaspimycin(1+) 0
                                  retaspimycin hydrochloride 0
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