CHEBI:167002 - komodoquinone B

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ChEBI Name komodoquinone B
ChEBI ID CHEBI:167002
Definition A member of the class of tetracenequinones that is 7,8,9,10-tetrahydrotetracene-5,12-dione carrying hydroxy groups at positions 1, 6, 8S, 10S and 11 and a methyl group at position 8S. It is the aglycone of komodoquinone A which was isolated from the marine bacterium Streptomyces sp. KS3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Martin Larralde
Supplier Information
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Formula C19H16O7
Net Charge 0
Average Mass 356.330
Monoisotopic Mass 356.08960
InChI InChI=1S/C19H16O7/c1-19(26)5-8-12(10(21)6-19)18(25)14-13(16(8)23)15(22)7-3-2-4-9(20)11(7)17(14)24/h2-4,10,20-21,23,25-26H,5-6H2,1H3/t10-,19-/m0/s1
InChIKey SFRTWZQYMRMOOJ-OVWNDWIMSA-N
SMILES C[C@@]1(O)C[C@H](O)C2=C(C1)C(O)=C1C(=O)C3=C(C(O)=CC=C3)C(=O)C1=C2O
Metabolite of Species Details
Streptomyces sp. (NCBI:txid1931) of strain KS3 See: PubMed
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing komodoquinone B (CHEBI:167002) has role bacterial metabolite (CHEBI:76969)
komodoquinone B (CHEBI:167002) has role marine metabolite (CHEBI:76507)
komodoquinone B (CHEBI:167002) is a p-quinones (CHEBI:25830)
komodoquinone B (CHEBI:167002) is a carbopolycyclic compound (CHEBI:35294)
komodoquinone B (CHEBI:167002) is a diketone (CHEBI:46640)
komodoquinone B (CHEBI:167002) is a pentol (CHEBI:37205)
komodoquinone B (CHEBI:167002) is a tertiary alcohol (CHEBI:26878)
komodoquinone B (CHEBI:167002) is a tetracenequinones (CHEBI:51286)
Incoming komodoquinone A (CHEBI:167003) has functional parent komodoquinone B (CHEBI:167002)
IUPAC Name
(8S,10S)-1,6,8,10,11-pentahydroxy-8-methyl-7,8,9,10-tetrahydrotetracene-5,12-dione
Synonyms Sources
(+)-komodoquinone B KNApSAcK
(8S,10S)-1,6,8,10,11-Pentahydroxy-8-methyl-7,8,9,10-tetrahydro-5,12-tetracendion IUPAC
komodoquinone A aglycone SUBMITTER
Manual Xrefs Databases
C00031957 KNApSAcK
JP2005080616 Patent
View more database links
Registry Number Type Source
630094-58-5 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
14575440 PubMed citation SUBMITTER
14646317 PubMed citation SUBMITTER
30995392 PubMed citation SUBMITTER
Last Modified
29 April 2021