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CHEBI:146159 - ascofuranol(1−)

ChEBI IDCHEBI:146159
ChEBI Nameascofuranol(1−)
Stars
ASCII Nameascofuranol(1-)
DefinitionA phenolate anion resulting from the deprotonation of the hydroxy group that is para- to the aldehyde group of ascofuranol. The major species at pH 7.3.
Last Modified9 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H30ClO5
Net Charge-1
Average Mass421.941
Monoisotopic Mass421.17873
SMILES[H][C@@]1(/C(C)=C/CC/C(C)=C/Cc2c([O-])c(Cl)c(C)c(C=O)c2O)C[C@H](O)C(C)(C)O1
InChIInChI=1S/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/p-1/b13-9+,14-8+/t18-,19-/m0/s1
InChIKeyYHXSUSPTGLHIRR-UZFWGDPLSA-M
ChEBI Ontology
Outgoing Relation(s)
ascofuranol(1−) (CHEBI:146159) is a phenolate anion (CHEBI:50525)
ascofuranol(1−) (CHEBI:146159) is conjugate base of ascofuranol (CHEBI:146279)
Incoming Relation(s)
ascofuranol (CHEBI:146279) is conjugate acid of ascofuranol(1−) (CHEBI:146159)
UniProt Name  Source
ascofuranolUniProt
Citations