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ONTOLOGY REPORT - ANNOTATIONS


Term:caspofungin
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Accession:CHEBI:474180 term browser browse the term
Definition:A semisynthetic cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall.
Synonyms:exact_synonym: (10R,12S)-N-{(2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS)-12-[(2-aminoethyl)amino]-20-[(1R)-3-amino-1-hydroxypropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide
 related_synonym: (4R,5S)-5-((2-aminoethyl)amino)-N(2)-(10,12-dimethyltetradecanoyl)-4-hydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-ornithyl-trans-3-hydroxy-L-proline cyclic (6-1)-peptide;   1-[(4R,5S)-5-[(2-aminoethyl)amino]-N(2)-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine]-5-[(3R)-3-hydroxy-L-ornithine]-pneumocandin B0;   Formula=C52H88N10O15;   InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28-,29+,30+,33+,34-,35-,36+,37-,38+,40-,41-,42-,43-,44-,45-,46-/m0/s1;   InChIKey=JYIKNQVWKBUSNH-WVDDFWQHSA-N;   SMILES=[C@@]12(N(C[C@@H](C1)O)C([C@H]([C@@H](C)O)NC(=O)[C@](C[C@H]([C@@H](NCCN)NC([C@@H]3[C@H](CCN3C([C@H]([C@@H](CCN)O)NC(=O)[C@H]([C@@H]([C@H](C4=CC=C(C=C4)O)O)O)NC2=O)=O)O)=O)O)(NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)[H])=O)[H]
 alt_id: CHEBI:599509
 xref: Beilstein:8471798 "Beilstein";   CAS:162808-62-0 "ChemIDplus";   CAS:162808-62-0 "KEGG DRUG";   DrugBank:DB00520;   Drug_Central:2977 "DrugCentral";   KEGG:D07626
 xref_mesh: MESH:C105417
 xref: PMID:24270605 "Europe PMC";   Patent:US5378804;   Patent:WO9421677


show annotations for term's descendants       view all columns           Sort by:
 
caspofungin term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Hnmt histamine N-methyltransferase JBrowse link 3 905,111 937,038 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19728
    role 19675
      biological role 19673
        antimicrobial agent 17211
          antifungal agent 14774
            pneumocandin B0 1
              caspofungin 1
                caspofungin acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    p-block element atom 19610
                      carbon group element atom 19501
                        carbon atom 19494
                          organic molecular entity 19494
                            organic group 18413
                              organic divalent group 18404
                                organodiyl group 18404
                                  carbonyl group 18293
                                    carbonyl compound 18293
                                      carboxylic acid 17960
                                        carboacyl group 17072
                                          univalent carboacyl group 17072
                                            carbamoyl group 16801
                                              carboxamide 16801
                                                peptide 9316
                                                  cyclic peptide 8717
                                                    homodetic cyclic peptide 8310
                                                      pneumocandin B0 1
                                                        caspofungin 1
                                                          caspofungin acetate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.