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CHEBI:90095 - 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid

ChEBI IDCHEBI:90095
ChEBI Name2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid
Stars
ASCII Name2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid
DefinitionA carbohydrate sulfonate that is 3-deoxy-D-erythro-hex-2-ulosonic acid in which the hydroxy group at position 6 is replaced by a sulfo group.
Last Modified26 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC6H10O8S
Net Charge0
Average Mass242.205
Monoisotopic Mass242.00964
SMILESO=C(O)C(=O)C[C@H](O)[C@H](O)CS(=O)(=O)O
InChIInChI=1S/C6H10O8S/c7-3(1-4(8)6(10)11)5(9)2-15(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H,12,13,14)/t3-,5+/m0/s1
InChIKeyCOLOZALSGXIPJV-WVZVXSGGSA-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)
2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid (CHEBI:90095) has role bacterial xenobiotic metabolite (CHEBI:76976)
2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid (CHEBI:90095) is a carbohydrate acid derivative (CHEBI:63436)
2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid (CHEBI:90095) is a carbohydrate sulfonate (CHEBI:38029)
2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid (CHEBI:90095) is conjugate acid of 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconate(2−) (CHEBI:88094)
Incoming Relation(s)
2-dehydro-3,6-dideoxy-6-sulfo-D-gluconate(2−) (CHEBI:88094) is conjugate base of 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconic acid (CHEBI:90095)
IUPAC Name 
3,6-dideoxy-6-sulfo-D-erythro-hex-2-ulosonic acid
Manual XrefsDatabases
CPD-18483MetaCyc
Citations