2.0
2015-06-04 15:53:18 -0600
2015-08-05 16:22:04 -0600
ECMDB23811
M2MDB004431
L-Gulonate
The L-enantiomer of gulonate
Gulonate
Gulonic acid
L-Gulonate
L-Gulonic acid
C6H12O7
196.1553
196.058302738
(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanoic acid
L-gulonic acid
526-97-6
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1
RGHNJXZEOKUKBD-QTBDOELSSA-N
logp
-2.57
logs
-0.09
solubility
1.59e+02 g/l
logp
-3.4
pka_strongest_acidic
3.39
pka_strongest_basic
-3
iupac
(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanoic acid
average_mass
196.1553
mono_mass
196.058302738
smiles
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
formula
C6H12O7
inchi
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1
inchikey
RGHNJXZEOKUKBD-QTBDOELSSA-N
polar_surface_area
138.45
refractivity
38.27
polarizability
17.21
rotatable_bond_count
5
acceptor_count
7
donor_count
6
physiological_charge
-1
formal_charge
0
Pentose and glucuronate interconversions
ec00040
Metabolic pathways
eco01100
Specdb::CMs
1084670
Specdb::NmrOneD
247328
Specdb::NmrOneD
247329
Specdb::NmrOneD
247330
Specdb::NmrOneD
247331
Specdb::NmrOneD
247332
Specdb::NmrOneD
247333
Specdb::NmrOneD
247334
Specdb::NmrOneD
247335
Specdb::NmrOneD
247336
Specdb::NmrOneD
247337
Specdb::NmrOneD
247338
Specdb::NmrOneD
247339
Specdb::NmrOneD
247340
Specdb::NmrOneD
247341
Specdb::NmrOneD
247342
Specdb::NmrOneD
247343
Specdb::NmrOneD
247344
Specdb::NmrOneD
247345
Specdb::NmrOneD
247346
Specdb::NmrOneD
247347
Specdb::MsMs
28256
Specdb::MsMs
28257
Specdb::MsMs
28258
Specdb::MsMs
34814
Specdb::MsMs
34815
Specdb::MsMs
34816
Specdb::MsMs
440178
Specdb::MsMs
451993
C00800
Starvation-sensing protein RspB
P38105
RSPB_ECOLI
rspB
http://ecmdb.ca/proteins/P38105.xml
L-Gulonate + NAD <> D-Fructuronate + NADH + Hydrogen ion
R10848