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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:(1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.0(1,6).0(11,20).0(14,19)]pentacosa-4,12,22(25)-trien-25-olate
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Accession:CHEBI:155856 term browser browse the term
Definition:Intermediate in the biosynthesis of pyrroindomycin antibiotics. Major species at pH 7.3.
Synonyms:related_synonym: Formula=C30H42NO5;   InChI=1S/C30H43NO5/c1-6-18-15-28(4)13-16(2)17(3)14-30(28)26(35)24(27(36)31-30)25(34)29(5)19(12-23(18)33)10-11-20-21(29)8-7-9-22(20)32/h10-11,13,17-23,32-33,35H,6-9,12,14-15H2,1-5H3,(H,31,36)/p-1/t17-,18-,19+,20+,21-,22+,23-,28+,29-,30-/m1/s1;   InChIKey=FVMMLTQICWHKRS-XEYQCMGESA-M;   SMILES=[C@]12([C@@H](C=C[C@]3([C@]1(CCC[C@@H]3O)[H])[H])C[C@H]([C@@H](C[C@@]4(C=C([C@@H](C[C@]54C(=C(C2=O)C(N5)=O)[O-])C)C)C)CC)O)C
 xref: PMID:25730548;   PMID:26877021;   PMID:29657086


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      molecular entity 19829
        polyatomic entity 19787
          molecule 19692
            cyclic compound 19508
              polycyclic compound 18823
                spiro compound 4996
                  (1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.0(1,6).0(11,20).0(14,19)]pentacosa-4,12,22(25)-trien-25-olate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  group 19788
                    polyatomic entity 19787
                      molecule 19692
                        cyclic compound 19508
                          polycyclic compound 18823
                            spiro compound 4996
                              (1S,3R,6R,8R,9R,11R,14S,15S,19R,20R)-8-ethyl-9,15-dihydroxy-3,4,6,20-tetramethyl-21,23-dioxo-24-azapentacyclo[20.2.1.0(1,6).0(11,20).0(14,19)]pentacosa-4,12,22(25)-trien-25-olate 0
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