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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:(6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
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Accession:CHEBI:130829 term browser browse the term
Definition:An aromatic compound that has formula C28H30N2O4.
Synonyms:related_synonym: Formula=C28H30N2O4;   InChI=1S/C28H30N2O4/c31-19-25-27(22-11-9-21(10-12-22)8-4-7-20-5-2-1-3-6-20)24-17-29(18-26(32)30(24)25)28(33)23-13-15-34-16-14-23/h1-3,5-6,9-12,23-25,27,31H,7,13-19H2/t24-,25+,27-/m0/s1;   InChIKey=OTPKLDQQMJMGEP-WEWMWRJBSA-N;   SMILES=C1COCCC1C(=O)N2C[C@H]3[C@@H]([C@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C#CCC5=CC=CC=C5
 xref: LINCS:LSM-42378


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Path 1
Term Annotations click to browse term
  CHEBI ontology 24216
    chemical entity 24181
      molecular entity 24130
        polyatomic entity 24043
          molecule 23555
            cyclic compound 22635
              aromatic compound 22231
                (6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24216
    subatomic particle 24167
      composite particle 24167
        hadron 24167
          baryon 24167
            nucleon 24167
              atomic nucleus 24167
                atom 24167
                  group 24043
                    polyatomic entity 24043
                      molecule 23555
                        cyclic compound 22635
                          aromatic compound 22231
                            (6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-phenylprop-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one 0
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