CHEBI:167003 - komodoquinone A

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ChEBI Name komodoquinone A
ChEBI ID CHEBI:167003
Definition An anthracycline that is komodoquinone B in which the hydroxy group at position 1 is replaced by a 3,6-dideoxy-3-(dimethylamino)-α-L-galactopyranoside group. First isolated from the marine bacterium Streptomyces sp. KS3, it induces neuronal cell differentiation in the neuroblastoma cell line.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Martin Larralde
Supplier Information
Download Molfile XML SDF
Formula C27H31NO10
Net Charge 0
Average Mass 529.542
Monoisotopic Mass 529.19480
InChI InChI=1S/C27H31NO10/c1-10-20(30)19(28(3)4)25(35)26(37-10)38-14-7-5-6-11-16(14)24(34)18-17(21(11)31)22(32)12-8-27(2,36)9-13(29)15(12)23(18)33/h5-7,10,13,19-20,25-26,29-30,32-33,35-36H,8-9H2,1-4H3/t10-,13-,19+,20+,25-,26-,27-/m0/s1
InChIKey QHKOGJYMAOSTLN-UEAQBVAUSA-N
SMILES C[C@@H]1O[C@@H](OC2=CC=CC3=C2C(=O)C2=C(O)C4=C(C[C@](C)(O)C[C@@H]4O)C(O)=C2C3=O)[C@@H](O)[C@@H]([C@@H]1O)N(C)C
Metabolite of Species Details
Streptomyces sp. (NCBI:txid1931) of strain KS3 See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via anthracycline )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing komodoquinone A (CHEBI:167003) has functional parent komodoquinone B (CHEBI:167002)
komodoquinone A (CHEBI:167003) has role bacterial metabolite (CHEBI:76969)
komodoquinone A (CHEBI:167003) has role marine metabolite (CHEBI:76507)
komodoquinone A (CHEBI:167003) is a aminoglycoside (CHEBI:47779)
komodoquinone A (CHEBI:167003) is a anthracycline (CHEBI:48120)
komodoquinone A (CHEBI:167003) is a diketone (CHEBI:46640)
komodoquinone A (CHEBI:167003) is a tertiary alcohol (CHEBI:26878)
komodoquinone A (CHEBI:167003) is a tertiary amino compound (CHEBI:50996)
komodoquinone A (CHEBI:167003) is a tetracenequinones (CHEBI:51286)
IUPAC Name
(8S,10S)-6,8,10,11-tetrahydroxy-8-methyl-5,12-dioxo-5,7,8,9,10,12-hexahydrotetracen-1-yl 3,6-dideoxy-3-(dimethylamino)-α-L-galactopyranoside
Synonym Source
(+)-komodoquinone A ChEBI
Manual Xrefs Databases
C00031956 KNApSAcK
JP2005080616 Patent
View more database links
Registry Number Type Source
630094-57-4 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