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> Main
CHEBI:67270 - glucoheptonic acid
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ChEBI Name
glucoheptonic acid
ChEBI ID
CHEBI:67270
Definition
A carbohydrate acid that is heptanoic acid substituted by hydroxy groups at C-2, C-3, C-4, C-5, C-6, and C-7.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H14O8
Net Charge
0
Average Mass
226.18130
Monoisotopic Mass
226.06887
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)/t2-,3-,4+,5-,6-/m1/s1
InChIKey
KWMLJOLKUYYJFJ-VFUOTHLCSA-N
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
(2
R
,3
R
,4
S
,5
R
,6
R
)-2,3,4,5,6,7-hexahydroxyheptanoic acid
IUPAC
α-glucoheptonic acid
ChemIDplus
Registry Numbers
Types
Sources
1372992
Reaxys Registry Number
Reaxys
87-74-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
22735334
PubMed citation
Europe PMC
Last Modified
12 March 2013