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ONTOLOGY REPORT - ANNOTATIONS


Term:2,5-dioxo-1-pyrrolidinyl 6-(6-\{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl\}amino)hexanoate
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Accession:CHEBI:62026 term browser browse the term
Definition:A steroid sulfide consisting of 2,5-dioxo-1-pyrrolidinyl 6-{6-[3-(thiopropionyl)aminohexanoyl]amino}hexanoate having a progesterone-4-yl group attached to the sulfur.
Synonyms:exact_synonym: 6-({3-[(3,20-dioxopregn-4-en-4-yl)sulfanyl]propanoyl}amino)-N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}hexanamide
 related_synonym: 2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(pregn-4-ene-3,20-dione-4-yl)thiopropanoyl]aminohexanoyl}amino)hexanoate;   2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(pregn-4-ene-3,20-dione-4-yl)thiopropionyl]aminohexanoyl}amino)hexanoate;   2,5-dioxo-1-pyrrolidinyl 6-(6-{3-[(progesterone-4-yl)thiopropanoyl]aminohexanoyl}amino)hexanoate;   Formula=C40H59N3O8S;   InChI=1S/C40H59N3O8S/c1-26(44)28-14-15-29-27-12-13-31-38(32(45)19-22-40(31,3)30(27)18-21-39(28,29)2)52-25-20-34(47)42-24-8-4-6-10-33(46)41-23-9-5-7-11-37(50)51-43-35(48)16-17-36(43)49/h27-30H,4-25H2,1-3H3,(H,41,46)(H,42,47)/t27-,28+,29-,30-,39+,40+/m0/s1;   InChIKey=XNLGAWHPZFZIKL-IZFKZPRQSA-N;   SMILES=[H][C@@]12CCC3=C(SCCC(=O)NCCCCCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
 xref: PMID:11996928 "Europe PMC";   Reaxys:9248002 "Reaxys"


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  CHEBI ontology 20965
    chemical entity 20963
      group 20802
        organic group 19164
          3-oxo-Delta(4)-steroid group 8033
            3-oxo-Delta(4) steroid 8033
              2,5-dioxo-1-pyrrolidinyl 6-(6-\{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl\}amino)hexanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20965
    subatomic particle 20959
      composite particle 20959
        hadron 20959
          baryon 20959
            nucleon 20959
              atomic nucleus 20959
                atom 20959
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20536
                        carbon atom 20512
                          organic molecular entity 20512
                            organic group 19164
                              organic divalent group 19154
                                organodiyl group 19154
                                  carbonyl group 19124
                                    carbonyl compound 19124
                                      ketone 16240
                                        oxo steroid 9447
                                          3-oxo steroid 8906
                                            3-oxo-Delta(4) steroid 8033
                                              progesterone 2782
                                                2,5-dioxo-1-pyrrolidinyl 6-(6-\{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl\}amino)hexanoate 0
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