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

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

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ChEBI ID	CHEBI:77900
ChEBI Name	(1'S,5'S)-5'-hydroxyaverantin(1−)
Stars
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.).
Last Modified	11 June 2014
Submitter	KAX
Downloads	Molfile

Formula	C20H19O8
Net Charge	-1
Average Mass	387.364
Monoisotopic Mass	387.10854
SMILES	C[C@H](O)CCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O
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

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(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 Relation(s)
	(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

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

Manual Xrefs	Databases
CPD-10164	MetaCyc