2.0
2012-10-10 12:16:55 -0600
2015-08-05 16:22:04 -0600
ECMDB23106
M2MDB003496
(S)-1-pyrroline-5-carboxylate
A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (S)-1-pyrroline-5-carboxylic acid
(S)-1-Pyrroline-5-carboxylic acid
Pyrroline-5-carboxylate
Pyrroline-5-carboxylic acid
C5H7NO2
113.1146
113.047678473
(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
L-1-pyrroline-5-carboxylate
[H][C@]1(CCC=N1)C(O)=O
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1
DWAKNKKXGALPNW-BYPYZUCNSA-N
logp
-0.01
logs
-0.94
solubility
1.31e+01 g/l
logp
-2.3
pka_strongest_acidic
1.82
pka_strongest_basic
6.07
iupac
(2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid
average_mass
113.1146
mono_mass
113.047678473
smiles
[H][C@]1(CCC=N1)C(O)=O
formula
C5H7NO2
inchi
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1
inchikey
DWAKNKKXGALPNW-BYPYZUCNSA-N
polar_surface_area
49.66
refractivity
27.4
polarizability
10.72
rotatable_bond_count
1
acceptor_count
3
donor_count
1
physiological_charge
-1
formal_charge
0
Alanine, aspartate and glutamate metabolism
ec00250
Arginine and proline metabolism
ec00330
Metabolic pathways
eco01100
Specdb::CMs
171075
Specdb::NmrOneD
147270
Specdb::NmrOneD
147271
Specdb::NmrOneD
147272
Specdb::NmrOneD
147273
Specdb::NmrOneD
147274
Specdb::NmrOneD
147275
Specdb::NmrOneD
147276
Specdb::NmrOneD
147277
Specdb::NmrOneD
147278
Specdb::NmrOneD
147279
Specdb::NmrOneD
147280
Specdb::NmrOneD
147281
Specdb::NmrOneD
147282
Specdb::NmrOneD
147283
Specdb::NmrOneD
147284
Specdb::NmrOneD
147285
Specdb::NmrOneD
147286
Specdb::NmrOneD
147287
Specdb::NmrOneD
147288
Specdb::NmrOneD
147289
Specdb::MsMs
27791
Specdb::MsMs
27792
Specdb::MsMs
27793
Specdb::MsMs
34349
Specdb::MsMs
34350
Specdb::MsMs
34351
Specdb::MsMs
2459641
Specdb::MsMs
2459642
Specdb::MsMs
2459643
Specdb::MsMs
2476019
Specdb::MsMs
2476020
Specdb::MsMs
2476021
C03912
Bifunctional protein putA
P09546
PUTA_ECOLI
putA
http://ecmdb.ca/proteins/P09546.xml
Pyrroline-5-carboxylate reductase
P0A9L8
P5CR_ECOLI
proC
http://ecmdb.ca/proteins/P0A9L8.xml
L-Proline + acceptor > (S)-1-pyrroline-5-carboxylate + reduced acceptor
(S)-1-pyrroline-5-carboxylate + NAD(P)(+) + 2 Water > L-Glutamate + NAD(P)H
L-Proline + NAD + NADP <> (S)-1-pyrroline-5-carboxylate + NADH + NADPH + Hydrogen ion
R01248 R01251
L-Proline + Acceptor + Quinone <> L-D-1-Pyrroline-5-carboxylic acid + Reduced acceptor + (S)-1-pyrroline-5-carboxylate + Hydroquinone
R01253