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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:Galacardin A
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Accession:CHEBI:211261 term browser browse the term
Synonyms:exact_synonym: 2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-48-[3-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-chloro-22-[3-chloro-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-19-[[2-[4-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-2-(methylamino)acetyl]amino]-32,35,37-trihydroxy-20,23,26,42,44-pentaoxo-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37,49-pentadecaene-40-carboxylic acid
 related_synonym: Formula=C101H121Cl2N9O46;   InChI=1S/C101H121Cl2N9O46/c1-32-70(120)48(104)26-60(143-32)154-87-39-11-18-52(47(103)21-39)148-55-23-40-22-54(88(55)158-101-89(79(129)75(125)59(31-116)153-101)155-61-27-49(105)71(121)33(2)144-61)146-42-14-7-36(8-15-42)86(157-100-83(133)78(128)74(124)58(30-115)152-100)68(111-90(135)63(106-4)35-5-12-43(13-6-35)147-97-84(134)80(130)85(34(3)145-97)156-99-82(132)77(127)73(123)57(29-114)151-99)94(139)108-65(38-10-17-53(46(102)20-38)149-98-81(131)76(126)72(122)56(28-113)150-98)91(136)109-66(40)93(138)107-64-37-9-16-50(118)44(19-37)62-45(24-41(117)25-51(62)119)67(96(141)142)110-95(140)69(87)112-92(64)137/h5-25,32-34,48-49,56-61,63-87,89,97-101,106,113-134H,26-31,104-105H2,1-4H3,(H,107,138)(H,108,139)(H,109,136)(H,110,140)(H,111,135)(H,112,137)(H,141,142);   InChIKey=VZHGBVYVAUUUAQ-UHFFFAOYSA-N;   SMILES=ClC1=C2OC3=C(OC4OC(C(O)C(C4OC5OC(C(O)C(C5)N)C)O)CO)C=6OC7=CC=C(C(OC8OC(C(O)C(C8O)O)CO)C(NC(=O)C(NC)C9=CC=C(OC%10OC(C(OC%11OC(C(O)C(C%11O)O)CO)C(C%10O)O)C)C=C9)C(NC(C(NC(C(=C3)C6)C(=O)NC%12C(NC(C(C(=C1)C=C2)OC%13OC(C(O)C(C%13)N)C)C(=O)NC(C%14=C(C(O)=CC(=C%14)O)C=%15C=C%12C=CC%15O)C(=O)O)=O)=O)C%16=CC(Cl)=C(OC%17OC(C(O)C(C%17O)O)CO)C=C%16)=O)C=C7
 xref: Chemspider:17288100



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Path 1
Term Annotations click to browse term
  CHEBI ontology 5151
    chemical entity 5151
      group 5131
        organic group 4755
          amino-acid residue 53
            peptide 53
              oligopeptide 29
                Galacardin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5151
    subatomic particle 5142
      composite particle 5142
        hadron 5142
          baryon 5142
            nucleon 5142
              atomic nucleus 5142
                atom 5142
                  main group element atom 5115
                    p-block element atom 5112
                      carbon group element atom 5030
                        carbon atom 5029
                          organic molecular entity 5029
                            heteroorganic entity 4874
                              organochalcogen compound 4828
                                organooxygen compound 4792
                                  carbon oxoacid 392
                                    carboxylic acid 388
                                      carboacyl group 210
                                        univalent carboacyl group 210
                                          carbamoyl group 207
                                            carboxamide 207
                                              peptide 53
                                                oligopeptide 29
                                                  Galacardin A 0
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