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CHEBI:66224 - thiomarinol E

ChEBI IDCHEBI:66224
ChEBI Namethiomarinol E
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
FormulaC32H48N2O9S2
Net Charge0
Average Mass668.875
Monoisotopic Mass668.28012
SMILES[H][C@@]1([C@H](O)/C(C)=C/C(=O)OCCCCCCCCCC(=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/C32H48N2O9S2/c1-19(21(3)35)12-11-13-22-17-43-30(29(40)28(22)39)27(38)20(2)16-25(37)42-15-10-8-6-4-5-7-9-14-24(36)34-26-31-23(18-44-45-31)33-32(26)41/h11-12,16,18-19,21-22,27-30,35,38-40H,4-10,13-15,17H2,1-3H3,(H,33,41)(H,34,36)/b12-11+,20-16+/t19-,21+,22+,27-,28-,29-,30+/m1/s1
InChIKeyDIZXGLMCRBSVBM-WCCSBUKDSA-N
Species of MetaboliteComponentSourceComments
Alteromonas rava (ncbitaxon:226) - PubMed (9207918) Strain: SANK 73390
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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.
ChEBI Ontology
Outgoing Relation(s)
thiomarinol E (CHEBI:66224) has role antibacterial agent (CHEBI:33282)
thiomarinol E (CHEBI:66224) has role antimicrobial agent (CHEBI:33281)
thiomarinol E (CHEBI:66224) has role bacterial metabolite (CHEBI:76969)
thiomarinol E (CHEBI:66224) is a enoate ester (CHEBI:51702)
thiomarinol E (CHEBI:66224) is a lactam (CHEBI:24995)
thiomarinol E (CHEBI:66224) 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-({10-oxo-10-[(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)amino]decyl}oxy)but-2-en-1-yl]-L-arabinitol
Registry NumbersSources
Reaxys:8180124Reaxys
Citations