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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 23754
    chemical entity 23717
      group 23570
        organic group 21894
          3-oxo-Delta(4)-steroid group 8406
            3-oxo-Delta(4) steroid 8406
              2,5-dioxo-1-pyrrolidinyl 6-(6-\{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl\}amino)hexanoate 0
Path 2
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  CHEBI ontology 23754
    subatomic particle 23703
      composite particle 23703
        hadron 23703
          baryon 23703
            nucleon 23703
              atomic nucleus 23703
                atom 23703
                  main group element atom 23522
                    p-block element atom 23522
                      carbon group element atom 23232
                        carbon atom 23208
                          organic molecular entity 23208
                            organic group 21894
                              organic divalent group 21866
                                organodiyl group 21866
                                  carbonyl group 21838
                                    carbonyl compound 21838
                                      ketone 18001
                                        oxo steroid 9777
                                          3-oxo steroid 9304
                                            3-oxo-Delta(4) steroid 8406
                                              progesterone 2896
                                                2,5-dioxo-1-pyrrolidinyl 6-(6-\{3-[(progesterone-4-yl)thiopropionyl]aminohexanoyl\}amino)hexanoate 0
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