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CHEBI:85805 - D-glucaro-1,4-lactone

ChEBI IDCHEBI:85805
ChEBI NameD-glucaro-1,4-lactone
Stars
ASCII NameD-glucaro-1,4-lactone
DefinitionA δ-lactone that is D-glucono-1,4-lactone in which the hydroxy group at position 6 has been oxidised to the corresponding carboxylic acid.
Last Modified21 May 2015
SubmitterSteve
DownloadsMolfile
FormulaC6H8O7
Net Charge0
Average Mass192.123
Monoisotopic Mass192.02700
SMILES[H][C@]1([C@H](O)C(=O)O)OC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1
InChIKeyXECPAIJNBXCOBO-MMPJQOAZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
D-glucaro-1,4-lactone (CHEBI:85805) has functional parent D-glucono-1,4-lactone (CHEBI:16165)
D-glucaro-1,4-lactone (CHEBI:85805) is a aldarolactone (CHEBI:37426)
D-glucaro-1,4-lactone (CHEBI:85805) is a δ-lactone (CHEBI:18946)
D-glucaro-1,4-lactone (CHEBI:85805) is conjugate acid of D-glucaro-1,4-lactone(1−) (CHEBI:85336)
Incoming Relation(s)
D-glucaro-1,4-lactone(1−) (CHEBI:85336) is conjugate base of D-glucaro-1,4-lactone (CHEBI:85805)
IUPAC Name 
(2S)-[(2S,3R,4R)-3,4-dihydroxy-5-oxotetrahydrofuran-2-yl](hydroxy)acetic acid
Synonyms  Source
D-saccharolactoneChEBI
1,4-GlucarolactoneChemIDplus
1,4-D-GlucarolactoneChemIDplus
SaccharolactoneChemIDplus
Manual XrefsDatabases
HMDB0041862HMDB
CPD-17141MetaCyc
Registry NumbersSources
Reaxys:85594Reaxys
CAS:5027-63-4ChemIDplus