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

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ChEBI Name (S)-demethyl-4-deoxygadusol(1−) ChEBI ID CHEBI:131711 ChEBI ASCII Name (S)-demethyl-4-deoxygadusol(1-) Definition An 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.). Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C7H9O5 Net Charge -1 Average Mass 173.145 Monoisotopic Mass 173.04555 InChI InChI=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 InChIKey OWHGXOODGNBQRG-ZETCQYMHSA-M SMILES OC[C@]1(O)CC([O-])=C(O)C(=O)C1 ChEBI Ontology Outgoing (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 (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 Synonym Source (S)-demethyl-4-deoxygadusol UniProt Citations Types Sources 20813918 PubMed citation SUBMITTER 22741921 PubMed citation SUBMITTER Last Modified 18 May 2023