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CHEBI:167003 - komodoquinone A

ChEBI IDCHEBI:167003
ChEBI Namekomodoquinone A
Stars
DefinitionAn 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.
Last Modified29 April 2021
SubmitterMartin Larralde
DownloadsMolfile
FormulaC27H31NO10
Net Charge0
Average Mass529.542
Monoisotopic Mass529.19480
SMILESC[C@@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(O)c4c(c(O)c2C3=O)C[C@](C)(O)C[C@@H]4O)[C@@H](O)[C@H](N(C)C)[C@@H]1O
InChIInChI=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
InChIKeyQHKOGJYMAOSTLN-UEAQBVAUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (14575440) Strain: KS3
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 AChEBI
Manual XrefsDatabases
C00031956KNApSAcK
JP2005080616Patent
Registry NumbersSources
CAS:630094-57-4KNApSAcK
Citations