CHEBI:66223 - thiomarinol D

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ChEBI Name thiomarinol D
ChEBI ID CHEBI:66223
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H46N2O9S2
Net Charge 0
Average Mass 654.83500
Monoisotopic Mass 654.26447
InChI InChI=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
InChIKey WJDAODOGPRMXNX-ZFNRTSIQSA-N
SMILES CC[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
Metabolite of Species Details
Alteromonas rava (NCBI:txid226) of strain SANK 73390 See: PubMed
Roles Classification
Biological Role(s): 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.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
8179895 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9207918 PubMed citation Europe PMC
Last Modified
13 January 2014