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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:ambrein
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Accession:CHEBI:78306 term browser browse the term
Definition:A triterpenoid alcohol that is a constituent of ambergris, an intestinal secretion of the sperm whale Physeter catodon.
Synonyms:exact_synonym: (1R,2R,4aS,8aS)-1-{(3E)-6-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-4-methylhex-3-en-1-yl}-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol
 related_synonym: 1-(6-(2,2-Dimethyl-6-methylenecyclohexyl)-4-methylhex-3-enyl)decahydro-2,5,5,8a-tetramethyl-2-naphthol;   Formula=C30H52O;   InChI=1S/C30H52O/c1-22(15-16-24-23(2)13-10-18-27(24,3)4)12-9-14-26-29(7)20-11-19-28(5,6)25(29)17-21-30(26,8)31/h12,24-26,31H,2,9-11,13-21H2,1,3-8H3/b22-12+/t24?,25-,26+,29-,30+/m0/s1;   InChIKey=BIADSXOKHZFLSN-YUOBBQQMSA-N;   SMILES=C\\C(CCC1C(=C)CCCC1(C)C)=C/CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C
 xref: AGR:IND44599608;   CAS:473-03-0;   PMID:11758796;   PMID:1479744;   PMID:1809819;   PMID:9533428;   Reaxys:3655411;   Wikipedia:Ambrein


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      application 19423
        pharmaceutical 19321
          drug 19321
            hypoglycemic agent 4131
              ambrein 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    main group molecular entity 19675
                      s-block molecular entity 19443
                        hydrogen molecular entity 19439
                          hydrides 18763
                            organic hydride 18363
                              organic fundamental parent 18363
                                hydrocarbon 18078
                                  terpene 12719
                                    triterpene 737
                                      triterpenoid 732
                                        ambrein 0
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