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CHEBI:71649 - (S)-5'-oxoaverantin

ChEBI IDCHEBI:71649
ChEBI Name(S)-5'-oxoaverantin
Stars
ASCII Name(S)-5'-oxoaverantin
DefinitionA hydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1-hydroxy-5-oxohexyl substituent at position 2 (the S-enantiomer).
Last Modified14 June 2016
SubmitterKAX
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCC(=O)CCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C20H18O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-7,12,22-25,28H,2-4H2,1H3/t12-/m0/s1
InChIKeyJJDSVOQKAOJVOK-LBPRGKRZSA-N
Roles Classification
Biological Role:
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)
(S)-5'-oxoaverantin (CHEBI:71649) has role metabolite (CHEBI:25212)
(S)-5'-oxoaverantin (CHEBI:71649) is a methyl ketone (CHEBI:51867)
(S)-5'-oxoaverantin (CHEBI:71649) is a polyketide (CHEBI:26188)
(S)-5'-oxoaverantin (CHEBI:71649) is a polyphenol (CHEBI:26195)
(S)-5'-oxoaverantin (CHEBI:71649) is a tetrahydroxyanthraquinone (CHEBI:37496)
(S)-5'-oxoaverantin (CHEBI:71649) is conjugate acid of (S)-5'-oxoaverantin(1−) (CHEBI:77933)
Incoming Relation(s)
(S)-5'-oxoaverantin(1−) (CHEBI:77933) is conjugate base of (S)-5'-oxoaverantin (CHEBI:71649)
IUPAC Name 
1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxy-5-oxohexyl]-9,10-anthraquinone
Synonyms  Source
OAVNSUBMITTER
5'-ketoaverantinMetaCyc
Manual XrefsDatabases
CPD-10166MetaCyc
Registry NumbersSources
Reaxys:15827980Reaxys
Citations