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CHEBI:66223 - thiomarinol D

ChEBI IDCHEBI:66223
ChEBI Namethiomarinol D
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 Modified13 January 2014
DownloadsMolfile
FormulaC31H46N2O9S2
Net Charge0
Average Mass654.848
Monoisotopic Mass654.26447
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](O)CC)[C@@H](O)[C@H]1O
InChIInChI=1S/C31H46N2O9S2/c1-4-22(34)18(2)11-10-12-20-16-42-29(28(39)27(20)38)26(37)19(3)15-24(36)41-14-9-7-5-6-8-13-23(35)33-25-30-21(17-43-44-30)32-31(25)40/h10-11,15,17-18,20,22,26-29,34,37-39H,4-9,12-14,16H2,1-3H3,(H,32,40)(H,33,35)/b11-10+,19-15+/t18-,20+,22+,26-,27-,28-,29+/m1/s1
InChIKeyWJDAODOGPRMXNX-ZFNRTSIQSA-N
Species of MetaboliteComponentSourceComments
Alteromonas rava (ncbitaxon:226) - PubMed (9207918) 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.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
thiomarinol D (CHEBI:66223) has role antibacterial agent (CHEBI:33282)
thiomarinol D (CHEBI:66223) has role antimicrobial agent (CHEBI:33281)
thiomarinol D (CHEBI:66223) has role bacterial metabolite (CHEBI:76969)
thiomarinol D (CHEBI:66223) is a enoate ester (CHEBI:51702)
thiomarinol D (CHEBI:66223) is a lactam (CHEBI:24995)
thiomarinol D (CHEBI:66223) is a organosulfur heterocyclic compound (CHEBI:38106)
IUPAC Name 
(5S)-1,5-anhydro-2-deoxy-2-[(2E,4R,5S)-5-hydroxy-4-methylhept-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
Registry NumbersSources
Reaxys:8179895Reaxys
Citations