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(Q74418287)
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English
5-dehydro-L-gluconate
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
monocarboxylic acid anion
0 references
mass
193.03537620791002
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
keto-D-fructuronate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
5-dehydro-D-gluconate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
D-tagaturonate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₆H₉O₇⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C([O-])C(O)C(O)C(O)C(=O)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C(C(=O)[C@@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)/p-1/t3-,4+,5-/m0/s1
0 references
InChIKey
IZSRJDGCGRAUAR-LMVFSUKVSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
51578623
1 reference
matched by identifier from
InChIKey
InChIKey
IZSRJDGCGRAUAR-LMVFSUKVSA-M
ChEBI ID
137108
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)/p-1/t3-,4+,5-/m0/s1
UniChem compound ID
44553723
1 reference
stated in
UniChem
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