CHEBI:77933 - (S)-5'-oxoaverantin(1−)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (S)-5'-oxoaverantin(1−) ChEBI ID CHEBI:77933 ChEBI ASCII Name (S)-5'-oxoaverantin(1-) Definition A phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-5'-oxoaverantin. 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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H17O8 Net Charge -1 Average Mass 385.34470 Monoisotopic Mass 385.09289 InChI InChI=1S/C20H18O8/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/h5-7,12,22-25,28H,2-4H2,1H3/p-1/t12-/m0/s1 InChIKey JJDSVOQKAOJVOK-LBPRGKRZSA-M SMILES CC(=O)CCC[C@H](O)c1c(O)cc2C(=O)c3cc([O-])cc(O)c3C(=O)c2c1O ChEBI Ontology Outgoing (S)-5'-oxoaverantin(1−) (CHEBI:77933) is a phenolate anion (CHEBI:50525) (S)-5'-oxoaverantin(1−) (CHEBI:77933) is conjugate base of (S)-5'-oxoaverantin (CHEBI:71649) Incoming (S)-5'-oxoaverantin (CHEBI:71649) is conjugate acid of (S)-5'-oxoaverantin(1−) (CHEBI:77933) IUPAC Name 4,5,7-trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydroanthracen-2-olate Synonym Source (S)-5'-oxoaverantin UniProt Citation Type Source 15022028 PubMed citation Europe PMC Last Modified 10 June 2014