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CHEBI:66220 - thiomarinol A

ChEBI IDCHEBI:66220
ChEBI Namethiomarinol A
Stars
DefinitionAn 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.
Last Modified25 November 2014
DownloadsMolfile
FormulaC30H44N2O9S2
Net Charge0
Average Mass640.821
Monoisotopic Mass640.24882
SMILES[H][C@@]1([C@H](O)/C(C)=C/C(=O)OCCCCCCCC(=O)Nc2c3sscc-3nc2=O)OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyJIEMCPGFAXNCQW-XVYZEKPJSA-N
Species of MetaboliteComponentSourceComments
Alteromonas rava (ncbitaxon:226) - PubMed (7592043) Strain: SANK 73390
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
thiomarinol A (CHEBI:66220) has role antibacterial agent (CHEBI:33282)
thiomarinol A (CHEBI:66220) has role antimicrobial agent (CHEBI:33281)
thiomarinol A (CHEBI:66220) has role bacterial metabolite (CHEBI:76969)
thiomarinol A (CHEBI:66220) has role marine metabolite (CHEBI:76507)
thiomarinol A (CHEBI:66220) is a cyclic ether (CHEBI:37407)
thiomarinol A (CHEBI:66220) is a enoate ester (CHEBI:51702)
thiomarinol A (CHEBI:66220) is a lactam (CHEBI:24995)
thiomarinol A (CHEBI:66220) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
(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
Synonym  Source
thiomarinolChemIDplus
Registry NumbersSources
CAS:146697-04-3ChemIDplus
Citations