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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:microspinosamide
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Accession:CHEBI:66388 term browser browse the term
Definition:A cyclodepsipeptide isolated from the marine sponge Sidonops microspinosa and has been shown to exhibit anti-HIV-1 activity.
Synonyms:exact_synonym: N-formyl-D-alanyl-4-bromo-beta-hydroxyphenylalanyl-L-prolyl-3-methyl-D-valyl-3-methyl-L-isoleucyl-D-tryptophyl-L-arginyl-N-[(3R,6R,7S,10S,13R,18aS)-10-(3-amino-3-oxopropyl)-3-(carboxymethyl)-6,9-dimethyl-1,4,8,11,14-pentaoxo-13-(propan-2-yl)hexadecahydro-6H-pyrrolo[2,1-f][1,4,7,10,13]oxatetraazacyclohexadecin-7-yl]-3-sulfo-D-alaninamide
 related_synonym: Formula=C75H109BrN18O22S;   InChI=1S/C75H109BrN18O22S/c1-12-75(9,10)59(91-67(107)58(74(6,7)8)90-66(106)51-22-17-31-94(51)71(111)56(89-60(100)38(4)82-36-95)57(99)40-23-25-42(76)26-24-40)68(108)84-46(32-41-34-81-44-19-14-13-18-43(41)44)62(102)83-45(20-15-29-80-73(78)79)61(101)86-48(35-117(113,114)115)63(103)88-55-39(5)116-72(112)47(33-53(97)98)85-65(105)50-21-16-30-93(50)70(110)54(37(2)3)87-64(104)49(27-28-52(77)96)92(11)69(55)109/h13-14,18-19,23-26,34,36-39,45-51,54-59,81,99H,12,15-17,20-22,27-33,35H2,1-11H3,(H2,77,96)(H,82,95)(H,83,102)(H,84,108)(H,85,105)(H,86,101)(H,87,104)(H,88,103)(H,89,100)(H,90,106)(H,91,107)(H,97,98)(H4,78,79,80)(H,113,114,115)/t38-,39-,45+,46-,47-,48-,49+,50+,51+,54-,55+,56?,57?,58+,59-/m1/s1;   InChIKey=GUGALNGMVNRENE-DPOFQXJLSA-N;   SMILES=CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)[C@@H](C)NC=O)C(O)c1ccc(Br)cc1)C(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS(O)(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](CCC(N)=O)N(C)C1=O)C(C)C
 xref: PMID:11170684;   PMID:20411126;   Reaxys:8825233


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  CHEBI ontology 19890
    role 19839
      biological role 19858
        biochemical role 19566
          metabolite 19533
            microspinosamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      carbon group element atom 19746
                        carbon atom 19743
                          organic molecular entity 19743
                            heteroorganic entity 19502
                              organochalcogen compound 19264
                                organooxygen compound 19180
                                  carbon oxoacid 18666
                                    carboxylic acid 18663
                                      carboacyl group 17715
                                        univalent carboacyl group 17690
                                          carbamoyl group 17566
                                            carboxamide 17566
                                              peptide 11439
                                                depsipeptide 4572
                                                  cyclodepsipeptide 4560
                                                    microspinosamide 0
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