1.0
2020-04-06 12:28:15 UTC
2020-04-06 23:43:23 UTC
FDB112145
N-gamma-Glutamylglutamine
C10H17N3O6
275.261
275.111735279
(2S)-2-amino-5-[(4S)-4-amino-4-carboxybutanamido]-5-oxopentanoic acid
(2S)-2-amino-5-[(4S)-4-amino-4-carboxybutanamido]-5-oxopentanoic acid
N[C@@H](CCC(=O)NC(=O)CC[C@H](N)C(O)=O)C(O)=O
InChI=1S/C10H17N3O6/c11-5(9(16)17)1-3-7(14)13-8(15)4-2-6(12)10(18)19/h5-6H,1-4,11-12H2,(H,16,17)(H,18,19)(H,13,14,15)/t5-,6-/m0/s1
FCWNOQOVMGNKNG-WDSKDSINSA-N
belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Glutamine and derivatives
Organic compounds
Organic acids and derivatives
Carboxylic acids and derivatives
Amino acids, peptides, and analogues
Aliphatic acyclic compounds
Amino acids
Carbonyl compounds
Carboxylic acids
Dicarboximides
Dicarboxylic acids and derivatives
Fatty acids and conjugates
Hydrocarbon derivatives
L-alpha-amino acids
Monoalkylamines
N-acyl amines
N-unsubstituted carboxylic acid imides
Organic oxides
Organopnictogen compounds
Aliphatic acyclic compound
Alpha-amino acid
Amine
Amino acid
Carbonyl group
Carboxylic acid
Carboxylic acid imide
Carboxylic acid imide, n-unsubstituted
Dicarboximide
Dicarboxylic acid or derivatives
Fatty acid
Glutamine or derivatives
Hydrocarbon derivative
L-alpha-amino acid
N-acyl-amine
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Primary aliphatic amine
Primary amine
logp
-3.90
logs
-1.70
solubility
5.53e+00 g/l
logp
-7
pka_strongest_acidic
1.64
pka_strongest_basic
9.71
iupac
(2S)-2-amino-5-[(4S)-4-amino-4-carboxybutanamido]-5-oxopentanoic acid
average_mass
275.261
mono_mass
275.111735279
smiles
N[C@@H](CCC(=O)NC(=O)CC[C@H](N)C(O)=O)C(O)=O
formula
C10H17N3O6
inchi
InChI=1S/C10H17N3O6/c11-5(9(16)17)1-3-7(14)13-8(15)4-2-6(12)10(18)19/h5-6H,1-4,11-12H2,(H,16,17)(H,18,19)(H,13,14,15)/t5-,6-/m0/s1
inchikey
FCWNOQOVMGNKNG-WDSKDSINSA-N
polar_surface_area
172.81
refractivity
61.32
polarizability
26.17
rotatable_bond_count
8
acceptor_count
8
donor_count
5
physiological_charge
0
formal_charge
0
Specdb::CMs
173575
Specdb::NmrOneD
157030
Specdb::NmrOneD
157031
Specdb::NmrOneD
157032
Specdb::NmrOneD
157033
Specdb::NmrOneD
157034
Specdb::NmrOneD
157035
Specdb::NmrOneD
157036
Specdb::NmrOneD
157037
Specdb::NmrOneD
157038
Specdb::NmrOneD
157039
Specdb::NmrOneD
157040
Specdb::NmrOneD
157041
Specdb::NmrOneD
157042
Specdb::NmrOneD
157043
Specdb::NmrOneD
157044
Specdb::NmrOneD
157045
Specdb::NmrOneD
157046
Specdb::NmrOneD
157047
Specdb::NmrOneD
157048
Specdb::NmrOneD
157049
Specdb::MsMs
1283932
Specdb::MsMs
1283933
Specdb::MsMs
1283934
Specdb::MsMs
1398766
Specdb::MsMs
1398767
Specdb::MsMs
1398768
Specdb::MsMs
2378706
Specdb::MsMs
2378707
Specdb::MsMs
2378708
Specdb::MsMs
2556273
Specdb::MsMs
2556274
Specdb::MsMs
2556275
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