1.0
2011-09-21 00:10:36 UTC
2015-10-09 22:28:38 UTC
FDB022231
N-Acetyl-L-alanine
N-Acetyl-L-alanine is a substrate for Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Myelin basic protein, GTP-binding nuclear protein Ran, Tropomyosin alpha 4 chain, HIV-1 Rev binding protein 2, Xaa-Pro dipeptidase, Thymosin beta-10, Actin-like protein 3, Alanine aminotransferase, Serine/threonine protein phosphatase PP1-beta catalytic subunit, 10 kDa heat shock protein (mitochondrial), Calmodulin and Beta-1-syntrophin. [HMDB]
(S)-(-)-N-Acetylalanine
(S)-2-(acetylamino)Propanoate
(S)-2-(acetylamino)Propanoic acid
(S)-N-Acetylalanine
2-Acetamidopropionate
2-Acetamidopropionic acid
Ac-ala-OH
Acetyl-L-alanine
Acetylalanine
L-N-Acetylalanine
N-Acetyl-(S)-alanine
N-Acetyl-L-a-alanine
N-Acetyl-L-alanine
N-Acetyl-L-alpha-alanine
N-Acetyl-L-α-alanine
N-Acetyl-S-alanine
N-Acetylalanine
C5H9NO3
131.1299
131.058243159
(2S)-2-acetamidopropanoic acid
N-acetylalanine
97-69-8
C[C@H](NC(C)=O)C(O)=O
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
KTHDTJVBEPMMGL-VKHMYHEASA-N
belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
N-acyl-L-alpha-amino acids
Organic compounds
Organic acids and derivatives
Carboxylic acids and derivatives
Amino acids, peptides, and analogues
Aliphatic acyclic compounds
Acetamides
Alanine and derivatives
Carbonyl compounds
Carboxylic acids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organonitrogen compounds
Organopnictogen compounds
Secondary carboxylic acid amides
Acetamide
Alanine or derivatives
Aliphatic acyclic compound
Carbonyl group
Carboxamide group
Carboxylic acid
Hydrocarbon derivative
Monocarboxylic acid or derivatives
N-acyl-l-alpha-amino acid
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Secondary carboxylic acid amide
L-alanine derivative
N-acetyl-L-amino acid
Solid
logp
-0.53
logs
-0.48
solubility
4.36e+01 g/l
logp
-0.76
pka_strongest_acidic
3.89
pka_strongest_basic
-2
iupac
(2S)-2-acetamidopropanoic acid
average_mass
131.1299
mono_mass
131.058243159
smiles
C[C@H](NC(C)=O)C(O)=O
formula
C5H9NO3
inchi
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1
inchikey
KTHDTJVBEPMMGL-VKHMYHEASA-N
polar_surface_area
66.4
refractivity
29.94
polarizability
12.5
rotatable_bond_count
2
acceptor_count
3
donor_count
2
physiological_charge
-1
formal_charge
0
Specdb::MsIr
849
Specdb::MsIr
850
Specdb::MsIr
851
Specdb::NmrTwoD
1039
Specdb::NmrTwoD
1478
Specdb::CMs
1010
Specdb::CMs
3316
Specdb::CMs
31226
Specdb::CMs
37753
Specdb::CMs
130680
Specdb::CMs
138414
Specdb::CMs
1074984
Specdb::CMs
1074985
Specdb::CMs
1074987
Specdb::NmrOneD
1270
Specdb::NmrOneD
1532
Specdb::NmrOneD
145270
Specdb::NmrOneD
145271
Specdb::NmrOneD
145272
Specdb::NmrOneD
145273
Specdb::NmrOneD
145274
Specdb::NmrOneD
145275
Specdb::NmrOneD
145276
Specdb::NmrOneD
145277
Specdb::NmrOneD
145278
Specdb::NmrOneD
145279
Specdb::NmrOneD
145280
Specdb::NmrOneD
145281
Specdb::NmrOneD
145282
Specdb::NmrOneD
145283
Specdb::NmrOneD
145284
Specdb::NmrOneD
145285
Specdb::NmrOneD
145286
Specdb::NmrOneD
145287
Specdb::NmrOneD
145288
Specdb::NmrOneD
145289
Specdb::NmrOneD
166455
Specdb::MsMs
1104
Specdb::MsMs
1105
Specdb::MsMs
1106
Specdb::MsMs
179901
Specdb::MsMs
179902
Specdb::MsMs
179903
Specdb::MsMs
182235
Specdb::MsMs
182236
Specdb::MsMs
182237
Specdb::MsMs
438686
Specdb::MsMs
2228756
Specdb::MsMs
2230707
Specdb::MsMs
2242194
Specdb::MsMs
2243651
Specdb::MsMs
2252466
Specdb::MsMs
2254037
Specdb::MsMs
2254476
Specdb::MsMs
2256076
Specdb::MsMs
2256435
Specdb::MsMs
2258175
Specdb::MsMs
2258453
Specdb::MsMs
2260109
Specdb::MsMs
2409208
Specdb::MsMs
2409209
Specdb::MsMs
2409210
HMDB00766
17533
AYA
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
Carbamoyl-phosphate synthase [ammonia], mitochondrial
P31327
CPS1
Glycine N-acyltransferase
Q6IB77
GLYAT
Glycine N-acyltransferase-like protein 1
Q969I3
GLYATL1
Glycine N-acyltransferase-like protein 2
Q8WU03
GLYATL2
N-acetylglutamate synthase, mitochondrial
Q8N159
NAGS