1.0
2011-09-21 00:15:12 UTC
2015-07-21 06:57:15 UTC
FDB022517
ADP-Ribosyl-L-arginine
ADP-Ribosyl-L-arginine is the substrate of the protein ADP-ribosylarginine hydrolase (EC-Number 3.2.2.19 ), removing ADP-ribose from arginine residues in ADP ribosylated proteins. Arginine residues in proteins act as acceptors, catalyzing the NAD (+)-dependent activation of the enzyme adenylate cyclase (EC 4.6.1.1). (MetaCyc) [HMDB]
N(omega)-(ADP-D-ribosyl)-arginine
N(omega)-(ADP-D-ribosyl)-L-arginine
N(omega)-(ADP-delta-ribosyl)-arginine
N(omega)-(ADP-delta-ribosyl)-L-arginine
N(w)-(ADP-D-ribosyl)-arginine
N(w)-(ADP-D-ribosyl)-L-arginine
N(w)-(ADP-delta-ribosyl)-arginine
N(w)-(ADP-delta-ribosyl)-L-arginine
N2-(ADP-D-ribosyl)-L-arginine
N2-(ADP-delta-ribosyl)-L-arginine
C21H35N9O15P2
715.5014
715.172784519
2-amino-5-[(E)-[amino({5-[({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl}amino)methylidene]amino]pentanoic acid
2-amino-5-[(E)-{amino[(5-{[({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl)amino]methylidene}amino]pentanoic acid
103960-56-1
NC(CCC\N=C(/N)NC1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C(N)N=CN=C23)C(O)C1O)C(O)=O
InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)
IWVSYNGKNZFSSA-UHFFFAOYSA-N
Solid
logp
-1.88
logs
-2.03
solubility
6.73e+00 g/l
logp
-9.4
pka_strongest_acidic
1.63
pka_strongest_basic
10.77
iupac
2-amino-5-[(E)-[amino({5-[({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl}amino)methylidene]amino]pentanoic acid
average_mass
715.5014
mono_mass
715.172784519
smiles
NC(CCC\N=C(/N)NC1OC(COP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C(N)N=CN=C23)C(O)C1O)C(O)=O
formula
C21H35N9O15P2
inchi
InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)
inchikey
IWVSYNGKNZFSSA-UHFFFAOYSA-N
polar_surface_area
385.02
refractivity
151.27
polarizability
65.02
rotatable_bond_count
15
acceptor_count
20
donor_count
11
physiological_charge
-1
formal_charge
0
Specdb::CMs
65891
Specdb::CMs
758220
Specdb::CMs
758221
Specdb::CMs
758222
Specdb::CMs
758223
Specdb::CMs
758224
Specdb::CMs
758225
Specdb::CMs
758226
Specdb::CMs
758227
Specdb::CMs
758228
Specdb::CMs
758229
Specdb::CMs
758230
Specdb::CMs
758231
Specdb::CMs
758232
Specdb::CMs
758233
Specdb::CMs
758234
Specdb::CMs
758235
Specdb::CMs
758236
Specdb::CMs
758237
Specdb::CMs
758238
Specdb::CMs
758239
Specdb::CMs
758240
Specdb::CMs
758241
Specdb::CMs
758242
Specdb::CMs
758243
Specdb::NmrOneD
9022
Specdb::NmrOneD
9023
Specdb::NmrOneD
9024
Specdb::NmrOneD
9025
Specdb::NmrOneD
9026
Specdb::NmrOneD
9027
Specdb::NmrOneD
9028
Specdb::NmrOneD
9029
Specdb::NmrOneD
9030
Specdb::NmrOneD
9031
Specdb::NmrOneD
9032
Specdb::NmrOneD
9033
Specdb::NmrOneD
9034
Specdb::NmrOneD
9035
Specdb::NmrOneD
9036
Specdb::NmrOneD
9037
Specdb::NmrOneD
9038
Specdb::NmrOneD
9039
Specdb::NmrOneD
9040
Specdb::NmrOneD
9041
Specdb::MsMs
321553
Specdb::MsMs
321554
Specdb::MsMs
321555
Specdb::MsMs
369208
Specdb::MsMs
369209
Specdb::MsMs
369210
Specdb::MsMs
3057994
Specdb::MsMs
3057995
Specdb::MsMs
3057996
Specdb::MsMs
3112769
Specdb::MsMs
3112770
Specdb::MsMs
3112771
HMDB01260
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
[Protein ADP-ribosylarginine] hydrolase
P54922
ADPRH