CHEBI:66222 - thiomarinol C

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ChEBI Name thiomarinol C
ChEBI ID CHEBI:66222
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 C30H44N2O8S2
Net Charge 0
Average Mass 624.80900
Monoisotopic Mass 624.25391
InChI InChI=1S/C30H44N2O8S2/c1-18(14-23-28(37)27(36)21(16-40-23)11-9-10-19(2)20(3)33)15-25(35)39-13-8-6-4-5-7-12-24(34)32-26-29-22(17-41-42-29)31-30(26)38/h9-10,15,17,19-21,23,27-28,33,36-37H,4-8,11-14,16H2,1-3H3,(H,31,38)(H,32,34)/b10-9+,18-15+/t19-,20+,21+,23+,27-,28+/m1/s1
InChIKey KYCIRSXXQPEBCI-UYGPANRWSA-N
SMILES C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H](C\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): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiomarinol C (CHEBI:66222) has role antibacterial agent (CHEBI:33282)
thiomarinol C (CHEBI:66222) has role antimicrobial agent (CHEBI:33281)
thiomarinol C (CHEBI:66222) has role bacterial metabolite (CHEBI:76969)
thiomarinol C (CHEBI:66222) is a enoate ester (CHEBI:51702)
thiomarinol C (CHEBI:66222) is a lactam (CHEBI:24995)
thiomarinol C (CHEBI:66222) 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-[(2E)-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
Synonyms Sources
[8-oxo-8-[(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)amino]octyl](2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-3-methylbut-2-enoate IUPAC
thiomarinol C UniProt
Manual Xrefs Databases
CPD-17952 MetaCyc
EP0595458 Patent
View more database links
Registry Number Type Source
7401941 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7592043 PubMed citation Europe PMC
Last Modified
21 March 2023