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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:hepoxilin B3
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Accession:CHEBI:34784 term browser browse the term
Definition:A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, a 10-hydroxy substituent and an (11S,12S)-epoxy group.
Synonyms:exact_synonym: (5Z,8Z)-10-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid
 related_synonym: 10-hydroxy-11S,12S-epoxy-5Z,8Z,14Z-eicosatrienoic acid;   Formula=C20H32O4;   HXB3;   InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20+/m0/s1;   InChIKey=DWNBPRRXEVJMPO-RNGYDEEPSA-N;   SMILES=C(\\C([C@H]1[C@H](C/C=C\\CCCCC)O1)O)=C\\C/C=C\\CCCC(=O)O
 xref: CAS:71799-95-6;   KEGG:C14810;   LIPID_MAPS_instance:LMFA03090003;   PMID:10692117;   PMID:11851887;   PMID:2180942
 cyclic_relationship: is_conjugate_acid_of CHEBI:78084


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            xenobiotic metabolite 0
              human xenobiotic metabolite 0
                hepoxilin B3 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        monocarboxylic acid 0
                                          fatty acid 0
                                            unsaturated fatty acid 0
                                              polyunsaturated fatty acid 0
                                                trienoic fatty acid 0
                                                  fatty acid 20:3 0
                                                    hepoxilin 0
                                                      hepoxilin B3 0
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