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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:helvolic acid
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Accession:CHEBI:62460 term browser browse the term
Definition:A steroid C-21 acid having a 29-nordammarane skeleton substituted with an acetoxy group at C-16 and oxo groups at C-3 and -7, with double bonds at C-1, -17(20) and -24.
Synonyms:exact_synonym: (17Z)-6beta,16beta-diacetoxy-4alpha,8,14-trimethyl-3,7-dioxo-5alpha,8alpha,9beta,13alpha,14beta-18-norcholesta-1,17,24-trien-21-oic acid
 related_synonym: (2Z)-2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17Z)-6,16-diacetoxy-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methylhept-5-enoic acid;   (4alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17beta)-6,16- bis(acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid;   16-(Acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid;   Formula=C33H44O8;   Fumigacin;   InChI=1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1;   InChIKey=MDFZYGLOIJNNRM-OAJDADRGSA-N;   SMILES=C=1[C@@]2([C@@]3(CC[C@@]/4([C@@]([C@]3(C([C@H]([C@]2([C@@H](C(C1)=O)C)[H])OC(=O)C)=O)C)(C[C@@H](\\C4=C(\\CCC=C(C)C)/C(=O)O)OC(=O)C)C)[H])[H])C
 xref: Beilstein:3230584;   CAS:29400-42-8;   KNApSAcK:C00023904;   LIPID_MAPS_instance:LMPR0106080005;   PMID:19216560;   PMID:27604096;   PMID:30070829;   PMID:30341897;   PMID:30822136;   PMID:30972287;   PMID:31091673;   PMID:31660859
 cyclic_relationship: is_conjugate_acid_of CHEBI:62461


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    role 25961
      biological role 25929
        antimicrobial agent 21890
          antibacterial agent 17813
            helvolic acid 0
              helvolic acid methyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbonyl compound 23563
                                    ketone 19347
                                      oxo steroid 11043
                                        3-oxo steroid 10440
                                          3-oxo-Delta(1) steroid 5504
                                            helvolic acid 0
                                              helvolic acid methyl ester 0
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