1.0
2020-04-06 12:29:09 UTC
2020-04-06 23:43:23 UTC
FDB112150
gamma-Glutamylserine
C8H14N2O6
234.208
234.085186179
(2S)-2-amino-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
(2S)-2-amino-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
N[C@@H](CCC(=O)N[C@@H](CO)C(O)=O)C(O)=O
InChI=1S/C8H14N2O6/c9-4(7(13)14)1-2-6(12)10-5(3-11)8(15)16/h4-5,11H,1-3,9H2,(H,10,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1
SQBNIUOYNOKDTI-WHFBIAKZSA-N
belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Dipeptides
Organic compounds
Organic acids and derivatives
Carboxylic acids and derivatives
Amino acids, peptides, and analogues
Aliphatic acyclic compounds
Amino acids
Beta hydroxy acids and derivatives
Carbonyl compounds
Carboxylic acids
Dicarboxylic acids and derivatives
Fatty acids and conjugates
Gamma-glutamyl amino acids
Glutamine and derivatives
Hydrocarbon derivatives
L-alpha-amino acids
Monoalkylamines
N-acyl amines
N-acyl-L-alpha-amino acids
Organic oxides
Organopnictogen compounds
Primary alcohols
Secondary carboxylic acid amides
Serine and derivatives
Alcohol
Aliphatic acyclic compound
Alpha-amino acid
Alpha-amino acid or derivatives
Alpha-dipeptide
Amine
Amino acid
Amino acid or derivatives
Beta-hydroxy acid
Carbonyl group
Carboxamide group
Carboxylic acid
Dicarboxylic acid or derivatives
Fatty acid
Fatty acyl
Fatty amide
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
Hydrocarbon derivative
Hydroxy acid
L-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
N-acyl-amine
N-acyl-l-alpha-amino acid
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Primary alcohol
Primary aliphatic amine
Primary amine
Secondary carboxylic acid amide
Serine or derivatives
logp
-3.57
logs
-1.02
solubility
2.26e+01 g/l
logp
-4.9
pka_strongest_acidic
1.8
pka_strongest_basic
9.31
iupac
(2S)-2-amino-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
average_mass
234.208
mono_mass
234.085186179
smiles
N[C@@H](CCC(=O)N[C@@H](CO)C(O)=O)C(O)=O
formula
C8H14N2O6
inchi
InChI=1S/C8H14N2O6/c9-4(7(13)14)1-2-6(12)10-5(3-11)8(15)16/h4-5,11H,1-3,9H2,(H,10,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1
inchikey
SQBNIUOYNOKDTI-WHFBIAKZSA-N
polar_surface_area
149.95
refractivity
50.13
polarizability
21.41
rotatable_bond_count
7
acceptor_count
7
donor_count
5
physiological_charge
-1
formal_charge
0
Specdb::CMs
137719
Specdb::CMs
145453
Specdb::MsMs
1297819
Specdb::MsMs
1297820
Specdb::MsMs
1297821
Specdb::MsMs
1412434
Specdb::MsMs
1412435
Specdb::MsMs
1412436
Specdb::MsMs
2837679
Specdb::MsMs
2837680
Specdb::MsMs
2837681
Specdb::MsMs
2868795
Specdb::MsMs
2868796
Specdb::MsMs
2868797
Specdb::NmrOneD
157090
Specdb::NmrOneD
157091
Specdb::NmrOneD
157092
Specdb::NmrOneD
157093
Specdb::NmrOneD
157094
Specdb::NmrOneD
157095
Specdb::NmrOneD
157096
Specdb::NmrOneD
157097
Specdb::NmrOneD
157098
Specdb::NmrOneD
157099
Specdb::NmrOneD
157100
Specdb::NmrOneD
157101
Specdb::NmrOneD
157102
Specdb::NmrOneD
157103
Specdb::NmrOneD
157104
Specdb::NmrOneD
157105
Specdb::NmrOneD
157106
Specdb::NmrOneD
157107
Specdb::NmrOneD
157108
Specdb::NmrOneD
157109
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