2.0
2015-06-04 15:12:11 -0600
2015-08-05 16:22:04 -0600
ECMDB23740
M2MDB004138
2-Aminobut-2-enoate
Conjugate base of 2-aminobut-2-enoic acid
(2Z)-2-Aminobut-2-enoate
(2Z)-2-Aminobut-2-enoic acid
(Z)-2-Aminobutenoate
(Z)-2-Aminobutenoic acid
(Z)-Dehydrobutyrine
(Z)2,3-Didehydrobutyrine
2-Aminobut-2-enoic acid
2-Ammoniobut-2-enoate
2-Ammoniobut-2-enoic acid
a,b-Dehydroaminobutyrate
a,b-Dehydroaminobutyric acid
alpha,beta-Dehydroaminobutyrate
alpha,beta-Dehydroaminobutyric acid
Anhydrothreonine
α,β-dehydroaminobutyrate
α,β-dehydroaminobutyric acid
C4H7NO2
101.1039
101.047678473
(2Z)-2-aminobut-2-enoic acid
Z-dehydrobutyrine
71018-10-5
C\C=C(/N)C(O)=O
InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
PAWSVPVNIXFKOS-IHWYPQMZSA-N
logp
0.26
logs
0.27
solubility
1.88e+02 g/l
logp
-2.5
pka_strongest_acidic
2.88
pka_strongest_basic
8.46
iupac
(2Z)-2-aminobut-2-enoic acid
average_mass
101.1039
mono_mass
101.047678473
smiles
C\C=C(/N)C(O)=O
formula
C4H7NO2
inchi
InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
inchikey
PAWSVPVNIXFKOS-IHWYPQMZSA-N
polar_surface_area
63.32
refractivity
26.59
polarizability
9.75
rotatable_bond_count
1
acceptor_count
3
donor_count
2
physiological_charge
0
formal_charge
0
Glycine, serine and threonine metabolism
ec00260
Valine, leucine and isoleucine biosynthesis
ec00290
Metabolic pathways
eco01100
Specdb::CMs
1085730
Specdb::NmrOneD
342808
Specdb::NmrOneD
342809
Specdb::NmrOneD
342810
Specdb::NmrOneD
342811
Specdb::NmrOneD
342812
Specdb::NmrOneD
342813
Specdb::NmrOneD
342814
Specdb::NmrOneD
342815
Specdb::NmrOneD
342816
Specdb::NmrOneD
342817
Specdb::NmrOneD
342818
Specdb::NmrOneD
342819
Specdb::NmrOneD
342820
Specdb::NmrOneD
342821
Specdb::NmrOneD
342822
Specdb::NmrOneD
342823
Specdb::NmrOneD
342824
Specdb::NmrOneD
342825
Specdb::NmrOneD
342826
Specdb::NmrOneD
342827
Specdb::MsMs
27164
Specdb::MsMs
27165
Specdb::MsMs
27166
Specdb::MsMs
33722
Specdb::MsMs
33723
Specdb::MsMs
33724
C17234
Threonine dehydratase biosynthetic
P04968
THD1_ECOLI
ilvA
http://ecmdb.ca/proteins/P04968.xml
Threonine dehydratase catabolic
P0AGF6
THD2_ECOLI
tdcB
http://ecmdb.ca/proteins/P0AGF6.xml
L-Threonine + 2-Aminobut-2-enoate + 2-Iminobutanoate + Water <> 2-Ketobutyric acid + Ammonia
R00996