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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:squalene
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Accession:CHEBI:15440 term browser browse the term
Definition:A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration.
Synonyms:exact_synonym: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
 related_synonym: (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene;   Formula=C30H50;   InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+;   InChIKey=YYGNTYWPHWGJRM-AAJYLUCBSA-N;   SMILES=CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C=C(/C)CC\\C=C(/C)CCC=C(C)C;   Spinacene;   Supraene
 alt_id: CHEBI:10795;   CHEBI:10843;   CHEBI:15104;   CHEBI:26746;   CHEBI:9245
 xref: Beilstein:1728920;   CAS:111-02-4;   KEGG:C00751;   KNApSAcK:C00003755;   LIPID_MAPS_instance:LMPR0106010002
 xref_mesh: MESH:D013185
 xref: PMID:16341241;   PMID:24362891


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squalene term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Pon1 paraoxonase 1 multiple interactions ISO Squalene inhibits the reaction [Simvastatin results in increased expression of PON1 mRNA] CTD PMID:14500290 NCBI chr 4:30,249,749...30,276,297
Ensembl chr 4:30,249,742...30,276,372
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        biochemical role 19281
          metabolite 19262
            eukaryotic metabolite 18906
              plant metabolite 17359
                squalene 1
                  (R)-12-hydroxysqualene 0
                  (S)-2,3-epoxysqualene 0
                  2,3-epoxysqualene + 0
                  3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene 0
                  3-methyl-1,2-didehydro-2,3-dihydrosqualene 0
                  squalene triterpenoid + 0
                  tetrahydroxysqualene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    main group molecular entity 19670
                      s-block molecular entity 19428
                        hydrogen molecular entity 19418
                          hydrides 18685
                            organic hydride 18248
                              organic fundamental parent 18248
                                hydrocarbon 17968
                                  terpene 9593
                                    triterpene 665
                                      squalene 1
                                        (R)-12-hydroxysqualene 0
                                        (S)-2,3-epoxysqualene 0
                                        2,3-epoxysqualene + 0
                                        3,22-dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene 0
                                        3-methyl-1,2-didehydro-2,3-dihydrosqualene 0
                                        squalene triterpenoid + 0
                                        tetrahydroxysqualene 0
paths to the root

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