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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:2alpha,19alpha-dihydroxy-3-oxo-12-ursen-28-oic acid
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Accession:CHEBI:65783 term browser browse the term
Definition:A pentacyclic triterpenoid that is urs-12-ene substituted by a carboxy group at position 28, alpha-configured hydroxy groups at positions 2 and 19 and an oxo group at position 3. Isolated from the whole plants of Geum japonicum, it exhibits activity against HIV-1 protease.
Synonyms:exact_synonym: (2alpha)-2,19-dihydroxy-3-oxours-12-en-28-oic acid
 related_synonym: Formula=C30H46O5;   InChI=1S/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-22,31,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1;   InChIKey=LJORXTIGOHMBOS-OTRVPSFMSA-N;   SMILES=[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)C(=O)C2(C)C
 xref: Chemspider:552868;   PMID:8759159;   Reaxys:8885609


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      biological role 19818
        biochemical role 19525
          metabolite 19512
            2alpha,19alpha-dihydroxy-3-oxo-12-ursen-28-oic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbonyl compound 18890
                                    ketone 17180
                                      oxyketone 8908
                                        alpha-oxyketone 8908
                                          alpha-hydroxy ketone 8908
                                            secondary alpha-hydroxy ketone 1041
                                              2alpha,19alpha-dihydroxy-3-oxo-12-ursen-28-oic acid 0
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