(1'S,5'S)-5'-hydroxyaverantin(1-) (CHEBI:77900)

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ChEBI Name	(1'S,5'S)-5'-hydroxyaverantin(1−)

ChEBI ID	CHEBI:77900

ChEBI ASCII Name	(1'S,5'S)-5'-hydroxyaverantin(1-)

Definition	A phenolate anion obtained by deprotonation of the 2-hydroxy group of (1'S,5'S)-5'-hydroxyaverantin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	KAX

Supplier Information

Download	Molfile XML SDF

Formula

C20H19O8

Net Charge

-1

Average Mass

387.36060

Monoisotopic Mass

387.10854

InChI

InChI=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/p-1/t8-,12-/m0/s1

InChIKey

GGNDESPZSKTNHV-UFBFGSQYSA-M

SMILES

C[C@H](O)CCC[C@H](O)c1c(O)cc2C(=O)c3cc([O-])cc(O)c3C(=O)c2c1O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	(1'S,5'S)-5'-hydroxyaverantin(1−) (CHEBI:77900) has role metabolite (CHEBI:25212) (1'S,5'S)-5'-hydroxyaverantin(1−) (CHEBI:77900) is a phenolate anion (CHEBI:50525) (1'S,5'S)-5'-hydroxyaverantin(1−) (CHEBI:77900) is conjugate base of (1'S,5'S)-5'-hydroxyaverantin (CHEBI:71535)

Incoming	(1'S,5'S)-5'-hydroxyaverantin (CHEBI:71535) is conjugate acid of (1'S,5'S)-5'-hydroxyaverantin(1−) (CHEBI:77900)

IUPAC Name

6-[(1S,5S)-1,5-dihydroxyhexyl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate

Synonym	Source
(1'S,5'S)-5'-hydroxyaverantin	UniProt

Last Modified

11 June 2014