1.0
2011-09-21 00:14:42 UTC
2015-07-21 06:57:14 UTC
FDB022481
Dyspropterin
Dyspropterin, an intermediate formed from dihydroneopterin triphosphate in the biosynthetic pathway of tetrahydrobiopterin. [HMDB]
6-(1,2-dioxopropyl)-5,6,7,8-tetrahydropterin
6-pyruvoyl-5,6,7,8-tetrahydropterin
6-pyruvoyl-tetrahydropterin
6-pyruvoyltetrahydropterin
dyspropterin
C9H11N5O3
237.2153
237.086189243
1-(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)propane-1,2-dione
1-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)propane-1,2-dione
89687-39-8
CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)
WBJZXBUVECZHCE-UHFFFAOYSA-N
belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
Pterins and derivatives
Organic compounds
Organoheterocyclic compounds
Pteridines and derivatives
Pterins and derivatives
Aromatic heteropolycyclic compounds
Alpha-amino ketones
Alpha-diketones
Azacyclic compounds
Beta-amino ketones
Gamma-amino ketones
Heteroaromatic compounds
Hydrocarbon derivatives
Hydroxypyrimidines
Organic oxides
Organopnictogen compounds
Secondary alkylarylamines
Alpha-aminoketone
Alpha-diketone
Amine
Aromatic heteropolycyclic compound
Azacycle
Beta-aminoketone
Carbonyl group
Gamma-aminoketone
Heteroaromatic compound
Hydrocarbon derivative
Hydroxypyrimidine
Ketone
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Pterin
Pyrimidine
Secondary aliphatic/aromatic amine
Secondary amine
a small molecule
biopterins
tetrahydropterin
Solid
logp
-1.01
logs
-2.56
solubility
6.47e-01 g/l
logp
-1.2
pka_strongest_acidic
7.81
pka_strongest_basic
1.82
iupac
1-(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)propane-1,2-dione
average_mass
237.2153
mono_mass
237.086189243
smiles
CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2
formula
C9H11N5O3
inchi
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)
inchikey
WBJZXBUVECZHCE-UHFFFAOYSA-N
polar_surface_area
125.68
refractivity
67.02
polarizability
21.98
rotatable_bond_count
2
acceptor_count
7
donor_count
4
physiological_charge
0
formal_charge
0
Pterine Biosynthesis
SMP00005
map00790
Specdb::CMs
23259
Specdb::CMs
119218
Specdb::CMs
137213
Specdb::CMs
144947
Specdb::NmrOneD
8902
Specdb::NmrOneD
8903
Specdb::NmrOneD
8904
Specdb::NmrOneD
8905
Specdb::NmrOneD
8906
Specdb::NmrOneD
8907
Specdb::NmrOneD
8908
Specdb::NmrOneD
8909
Specdb::NmrOneD
8910
Specdb::NmrOneD
8911
Specdb::NmrOneD
8912
Specdb::NmrOneD
8913
Specdb::NmrOneD
8914
Specdb::NmrOneD
8915
Specdb::NmrOneD
8916
Specdb::NmrOneD
8917
Specdb::NmrOneD
8918
Specdb::NmrOneD
8919
Specdb::NmrOneD
8920
Specdb::NmrOneD
8921
Specdb::MsMs
27689
Specdb::MsMs
27690
Specdb::MsMs
27691
Specdb::MsMs
34247
Specdb::MsMs
34248
Specdb::MsMs
34249
Specdb::MsMs
2385221
Specdb::MsMs
2385222
Specdb::MsMs
2385223
Specdb::MsMs
2577687
Specdb::MsMs
2577688
Specdb::MsMs
2577689
HMDB01195
17804
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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
Sepiapterin reductase
P35270
SPR