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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:(3S,6S,7R,8aR)-6-[3-(2-hydroxyethoxy)phenyl]-N-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
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Accession:CHEBI:125216 term browser browse the term
Definition:A pyrrolidine that has formula C27H40N4O6S.
Synonyms:related_synonym: Formula=C27H40N4O6S;   InChI=1S/C27H40N4O6S/c1-17(2)13-21-27(36)31-22(26(35)30-21)15-20(24(31)18-7-6-8-19(14-18)37-12-11-32)25(34)29-10-5-3-4-9-28-23(33)16-38/h6-8,14,17,20-22,24,32,38H,3-5,9-13,15-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,35)/t20-,21+,22-,24-/m1/s1;   InChIKey=KMJRLGVVZSKVQB-JTOYRKQZSA-N;   SMILES=CC(C)C[C@H]1C(=O)N2[C@H](C[C@H]([C@H]2C3=CC(=CC=C3)OCCO)C(=O)NCCCCCNC(=O)CS)C(=O)N1
 xref: LINCS:LSM-36684


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  CHEBI ontology 19899
    chemical entity 19897
      atom 19897
        nonmetal atom 19819
          nitrogen atom 19003
            nitrogen molecular entity 19003
              organonitrogen compound 18855
                organonitrogen heterocyclic compound 18176
                  pyrrolidines 2336
                    (3S,6S,7R,8aR)-6-[3-(2-hydroxyethoxy)phenyl]-N-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic molecule 19724
                              organic cyclic compound 19514
                                organic heterocyclic compound 18893
                                  organic heteromonocyclic compound 17817
                                    pyrrolidines 2336
                                      (3S,6S,7R,8aR)-6-[3-(2-hydroxyethoxy)phenyl]-N-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-(2-methylpropyl)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide 0
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