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CHEBI:71535 - (1'S,5'S)-5'-hydroxyaverantin

Default Structure
ChEBI IDCHEBI:71535
ChEBI Name(1'S,5'S)-5'-hydroxyaverantin
Stars
ASCII Name(1'S,5'S)-5'-hydroxyaverantin
DefinitionA tetrahydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1,5-dihydroxyhexyl substituent at position 2 (the 1'S,5'S-diastereomer).
Last Modified14 June 2016
SubmitterKAX
DownloadsMolfile
FormulaC20H20O8
Net Charge0
Average Mass388.372
Monoisotopic Mass388.11582
SMILESC[C@H](O)CCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C20H20O8/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/h5-8,12,21-25,28H,2-4H2,1H3/t8-,12-/m0/s1
InChIKeyGGNDESPZSKTNHV-UFBFGSQYSA-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)
(1'S,5'S)-5'-hydroxyaverantin (CHEBI:71535) has role metabolite (CHEBI:25212)
(1'S,5'S)-5'-hydroxyaverantin (CHEBI:71535) is a polyketide (CHEBI:26188)
(1'S,5'S)-5'-hydroxyaverantin (CHEBI:71535) is a polyphenol (CHEBI:26195)
(1'S,5'S)-5'-hydroxyaverantin (CHEBI:71535) is a tetrahydroxyanthraquinone (CHEBI:37496)
(1'S,5'S)-5'-hydroxyaverantin (CHEBI:71535) is conjugate acid of (1'S,5'S)-5'-hydroxyaverantin(1−) (CHEBI:77900)
Incoming Relation(s)
(1'S,5'S)-5'-hydroxyaverantin(1−) (CHEBI:77900) is conjugate base of (1'S,5'S)-5'-hydroxyaverantin (CHEBI:71535)
IUPAC Name 
2-[(1S,5S)-1,5-dihydroxyhexyl]-1,3,6,8-tetrahydroxy-9,10-anthraquinone
Manual XrefsDatabases
CPD-10164MetaCyc
Citations