CHEBI:59200 - (2ξ)-D-gluco-heptonate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2ξ)-D-gluco-heptonate
ChEBI ID CHEBI:59200
ChEBI ASCII Name (2xi)-D-gluco-heptonate
Definition The monocarboxylic acid anion obtained by removal of a proton from the carboxy groups of (2ξ)-D-gluco-heptonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H13O8
Net Charge -1
Average Mass 225.17330
Monoisotopic Mass 225.06159
InChI InChI=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
InChIKey KWMLJOLKUYYJFJ-GASJEMHNSA-M
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O
ChEBI Ontology
Outgoing (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 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 Sources
(2ξ)-D-glycero-D-gulo-heptonate ChEBI
(2ξ)-D-glycero-D-gulo-heptonate(1−) ChEBI
(2ξ)-D-glycero-D-ido-heptonate ChEBI
(2ξ)-D-glycero-D-ido-heptonate(1−) ChEBI
(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate IUPAC
Last Modified
11 January 2012