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CHEBI:67270 - glucoheptonic acid

ChEBI IDCHEBI:67270
ChEBI Nameglucoheptonic acid
Stars
DefinitionA carbohydrate acid that is heptanoic acid substituted by hydroxy groups at C-2, C-3, C-4, C-5, C-6, and C-7.
Last Modified12 March 2013
Submittermwilliams
DownloadsMolfile
FormulaC7H14O8
Net Charge0
Average Mass226.181
Monoisotopic Mass226.06887
SMILESO=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[A22122h]/1/
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)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyKWMLJOLKUYYJFJ-VFUOTHLCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
glucoheptonic acid (CHEBI:67270) has functional parent heptanoic acid (CHEBI:45571)
glucoheptonic acid (CHEBI:67270) has role metabolite (CHEBI:25212)
glucoheptonic acid (CHEBI:67270) is a carbohydrate acid (CHEBI:33720)
glucoheptonic acid (CHEBI:67270) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
D-glycero-D-gulo-heptonic acid
Synonyms  Source
(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acidIUPAC
α-glucoheptonic acidChemIDplus
Registry NumbersSources
Reaxys:1372992Reaxys
CAS:87-74-1ChemIDplus
Citations