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CHEBI:131711 - (S)-demethyl-4-deoxygadusol(1−)

ChEBI IDCHEBI:131711
ChEBI Name(S)-demethyl-4-deoxygadusol(1−)
Stars
ASCII Name(S)-demethyl-4-deoxygadusol(1-)
DefinitionAn organic anion obtained by deprotonation of one of the hydroxy groups of (S)-demethyl-4-deoxygadusol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified18 May 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H9O5
Net Charge-1
Average Mass173.144
Monoisotopic Mass173.04555
SMILESO=C1C[C@](O)(CO)CC([O-])=C1O
InChIInChI=1S/C7H10O5/c8-3-7(12)1-4(9)6(11)5(10)2-7/h8-9,11-12H,1-3H2/p-1/t7-/m0/s1
InChIKeyOWHGXOODGNBQRG-ZETCQYMHSA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-demethyl-4-deoxygadusol(1−) (CHEBI:131711) is a organic anion (CHEBI:25696)
(S)-demethyl-4-deoxygadusol(1−) (CHEBI:131711) is conjugate base of (S)-demethyl-4-deoxygadusol (CHEBI:132052)
Incoming Relation(s)
(S)-demethyl-4-deoxygadusol (CHEBI:132052) is conjugate acid of (S)-demethyl-4-deoxygadusol(1−) (CHEBI:131711)
IUPAC Name 
(5S)-2,5-dihydroxy-5-(hydroxymethyl)-3-oxocyclohex-1-en-1-olate
UniProt Name  Source
(S)-demethyl-4-deoxygadusolUniProt
Citations