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CHEBI:88270 - 6-deoxy-6-sulfo-D-gluconic acid

ChEBI IDCHEBI:88270
ChEBI Name6-deoxy-6-sulfo-D-gluconic acid
Stars
ASCII Name6-deoxy-6-sulfo-D-gluconic acid
DefinitionA carbohydrate sulfonate that is D-gluconic acid in which the hydroxy group at position 6 is replaced by a sulfo group.
Last Modified19 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC6H12O9S
Net Charge0
Average Mass260.220
Monoisotopic Mass260.02020
SMILESO=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CS(=O)(=O)O
InChIInChI=1S/C6H12O9S/c7-2(1-16(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKeySBCIXDBITAKZCS-SQOUGZDYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas putida (ncbitaxon:303) - PubMed (26195800) Strain: SQ1
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
6-deoxy-6-sulfo-D-gluconic acid (CHEBI:88270) has functional parent D-gluconic acid (CHEBI:33198)
6-deoxy-6-sulfo-D-gluconic acid (CHEBI:88270) has role bacterial xenobiotic metabolite (CHEBI:76976)
6-deoxy-6-sulfo-D-gluconic acid (CHEBI:88270) is a carbohydrate acid derivative (CHEBI:63436)
6-deoxy-6-sulfo-D-gluconic acid (CHEBI:88270) is a carbohydrate sulfonate (CHEBI:38029)
6-deoxy-6-sulfo-D-gluconic acid (CHEBI:88270) is conjugate acid of 6-deoxy-6-sulfo-D-gluconate(2−) (CHEBI:88093)
Incoming Relation(s)
6-deoxy-6-sulfo-D-gluconate(2−) (CHEBI:88093) is conjugate base of 6-deoxy-6-sulfo-D-gluconic acid (CHEBI:88270)
IUPAC Name 
6-deoxy-6-sulfo-D-gluconic acid
Synonyms  Source
6-deoxy-6-sulfogluconic acidChEBI
6-deoxy-D-gluconic acid 6-sulfonateChEBI
Manual XrefsDatabases
CPD-18482MetaCyc
Citations