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CHEBI:59200 - (2ξ)-D-gluco-heptonate

ChEBI IDCHEBI:59200
ChEBI Name(2ξ)-D-gluco-heptonate
Stars
ASCII Name(2xi)-D-gluco-heptonate
DefinitionThe monocarboxylic acid anion obtained by removal of a proton from the carboxy groups of (2ξ)-D-gluco-heptonic acid.
Last Modified11 January 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H13O8
Net Charge-1
Average Mass225.173
Monoisotopic Mass225.06159
SMILESO=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)/p-1/t2-,3-,4+,5-,6?/m1/s1
InChIKeyKWMLJOLKUYYJFJ-GASJEMHNSA-M
ChEBI Ontology
Outgoing Relation(s)
(2ξ)-D-gluco-heptonate (CHEBI:59200) is a carbohydrate acid anion (CHEBI:33721)
(2ξ)-D-gluco-heptonate (CHEBI:59200) is a monocarboxylic acid anion (CHEBI:35757)
(2ξ)-D-gluco-heptonate (CHEBI:59200) is conjugate base of (2ξ)-D-gluco-heptonic acid (CHEBI:59201)
Incoming Relation(s)
calcium glucoheptonate (CHEBI:3314) has part (2ξ)-D-gluco-heptonate (CHEBI:59200)
(2ξ)-D-gluco-heptonic acid (CHEBI:59201) is conjugate acid of (2ξ)-D-gluco-heptonate (CHEBI:59200)
IUPAC Name 
(2ξ)-D-gluco-heptonate
Synonyms  Source
(2ξ)-D-glycero-D-gulo-heptonateChEBI
(2ξ)-D-glycero-D-gulo-heptonate(1−)ChEBI
(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoateIUPAC
(2ξ)-D-glycero-D-ido-heptonateChEBI
(2ξ)-D-glycero-D-ido-heptonate(1−)ChEBI