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ONTOLOGY REPORT - ANNOTATIONS


Term:Thiocoraline
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Accession:CHEBI:69052 term browser browse the term
Definition:A peptide that has formula C48H56N10O12S6.
Synonyms:related_synonym: Formula=C48H56N10O12S6;   InChI=1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)/t29-,30-,31+,32+,33+,34+/m0/s1;   InChIKey=UPGGKUQISSWRJJ-XLTUSUNSSA-N;   SMILES=CSC[C@H]1N(C)C(=O)[C@H]2CSSC[C@@H](N(C)C(=O)CNC(=O)[C@H](CSC1=O)NC(=O)c1nc3ccccc3cc1O)C(=O)N(C)[C@H](CSC)C(=O)SC[C@H](NC(=O)c1nc3ccccc3cc1O)C(=O)NCC(=O)N2C;   thiocoraline A
 xref: CAS:173046-02-1 "KEGG COMPOUND";   KEGG:C15727;   KNApSAcK:C00016361
 xref_mesh: MESH:C109005
 xref: PMID:21923106 "Europe PMC"


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Thiocoraline term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 JBrowse link 8 62,472,087 62,478,122 RGD:6480464
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 JBrowse link 1 147,236,480 147,307,988 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    chemical entity 19652
      group 19568
        organic group 18331
          amino-acid residue 9293
            peptide 9292
              Thiocoraline 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic group 18331
                              organic divalent group 18321
                                organodiyl group 18321
                                  carbonyl group 18209
                                    carbonyl compound 18209
                                      carboxylic acid 17908
                                        carboacyl group 16930
                                          univalent carboacyl group 16930
                                            carbamoyl group 16610
                                              carboxamide 16610
                                                peptide 9292
                                                  Thiocoraline 2
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.