CHEBI:77899 - (S)-averantin(1−)

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ChEBI Name (S)-averantin(1−)
ChEBI ID CHEBI:77899
ChEBI ASCII Name (S)-averantin(1-)
Definition A phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-averantin. 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 C20H19O7
Net Charge -1
Average Mass 371.36120
Monoisotopic Mass 371.11363
InChI InChI=1S/C20H20O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,12,21-24,27H,2-5H2,1H3/p-1/t12-/m0/s1
InChIKey WGPOPPKSQRZUTP-LBPRGKRZSA-M
SMILES CCCCC[C@H](O)c1c(O)cc2C(=O)c3cc([O-])cc(O)c3C(=O)c2c1O
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-averantin(1−) (CHEBI:77899) has role fungal metabolite (CHEBI:76946)
(S)-averantin(1−) (CHEBI:77899) is a phenolate anion (CHEBI:50525)
(S)-averantin(1−) (CHEBI:77899) is conjugate base of (S)-averantin (CHEBI:71534)
Incoming (S)-averantin (CHEBI:71534) is conjugate acid of (S)-averantin(1−) (CHEBI:77899)
IUPAC Name
4,5,7-trihydroxy-6-[(1S)-1-hydroxyhexyl]-9,10-dioxo-9,10-dihydroanthracen-2-olate
Synonym Source
(1'S)-averantin UniProt
Manual Xref Database
CPD-10163 MetaCyc
View more database links
Last Modified
26 May 2015