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CHEBI:77899 - (S)-averantin(1−)

Default Structure
ChEBI IDCHEBI:77899
ChEBI Name(S)-averantin(1−)
Stars
ASCII Name(S)-averantin(1-)
DefinitionA 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.).
Last Modified26 May 2015
SubmitterKAX
DownloadsMolfile
FormulaC20H19O7
Net Charge-1
Average Mass371.365
Monoisotopic Mass371.11363
SMILESCCCCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O
InChIInChI=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
InChIKeyWGPOPPKSQRZUTP-LBPRGKRZSA-M
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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
UniProt Name  Source
(1'S)-averantinUniProt
Manual XrefsDatabases
CPD-10163MetaCyc