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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:thiomarinol A
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Accession:CHEBI:66220 term browser browse the term
Definition:An organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria.
Synonyms:exact_synonym: (5S)-1,5-anhydro-2-deoxy-2-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]-5-[(1R,2E)-1-hydroxy-2-methyl-4-oxo-4-({8-oxo-8-[(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)amino]octyl}oxy)but-2-en-1-yl]-L-arabinitol
 related_synonym: Formula=C30H44N2O9S2;   InChI=1S/C30H44N2O9S2/c1-17(19(3)33)10-9-11-20-15-41-28(27(38)26(20)37)25(36)18(2)14-23(35)40-13-8-6-4-5-7-12-22(34)32-24-29-21(16-42-43-29)31-30(24)39/h9-10,14,16-17,19-20,25-28,33,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,19+,20+,25-,26-,27-,28+/m1/s1;   InChIKey=JIEMCPGFAXNCQW-XVYZEKPJSA-N;   SMILES=C[C@H](O)[C@H](C)\\C=C\\C[C@H]1CO[C@@H]([C@H](O)C(\\C)=C\\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O;   thiomarinol
 xref: CAS:146697-04-3;   PMID:7592043;   PMID:8294241


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  CHEBI ontology 503
    role 503
      biological role 503
        antimicrobial agent 124
          thiomarinol A 0
Path 2
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  CHEBI ontology 503
    subatomic particle 503
      composite particle 503
        hadron 503
          baryon 503
            nucleon 503
              atomic nucleus 503
                atom 503
                  main group element atom 496
                    p-block element atom 496
                      carbon group element atom 485
                        carbon atom 484
                          organic molecular entity 484
                            heteroorganic entity 478
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      carboacyl group 308
                                        univalent carboacyl group 308
                                          carbamoyl group 306
                                            carboxamide 306
                                              lactam 4
                                                thiomarinol A 0
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