1.0
2011-09-21 00:14:05 UTC
2015-07-21 06:57:12 UTC
FDB022444
Nicotinic acid mononucleotide
Nicotinic acid mononucleotide is an intermediate in the metabolism of Nicotinate and nicotinamide. It is a substrate for Ectonucleotide pyrophosphatase/phosphodiesterase 2, Ectonucleotide pyrophosphatase/phosphodiesterase 1, Nicotinamide mononucleotide adenylyltransferase 3, Cytosolic 5'-nucleotidase IA, Cytosolic 5'-nucleotidase IB, Nicotinate-nucleotide pyrophosphorylase, 5'(3')-deoxyribonucleotidase (cytosolic type), Cytosolic purine 5'-nucleotidase, Nicotinamide mononucleotide adenylyltransferase 2, Ectonucleotide pyrophosphatase/phosphodiesterase 3, 5'-nucleotidase, 5'(3')-deoxyribonucleotidase (mitochondrial) and Nicotinamide mononucleotide adenylyltransferase 1. [HMDB]
3-Carboxy-1-(5-O-ONO-b-D-ribofuranosyl)-pyridinium inner salt
3-Carboxy-1-(5-O-ONO-beta-D-ribofuranosyl)-pyridinium inner salt
3-Carboxy-1-(5-O-ONO-beta-delta-ribofuranosyl)-pyridinium inner salt
3-Carboxy-1-beta-D-ribofuranosylpyridinium hydroxide 5'-ate inner salt
3-Carboxy-1-beta-delta-ribofuranosylpyridinium hydroxide 5'-ate inner salt
3-Pyridinecarboxylic acid mononucleotide
Beta-nicotinate D-ribonucleotide
beta-Nicotinic acid mononucleotide
Deamido nicotinamide ribonucleotide
deamido-nicotinamide mononucleotide
Deamido-NMN
NaMN
Nicotinate D-ribonucleoside
Nicotinate D-ribonucleotide
Nicotinate mononucleotide
nicotinate nucleotide
nicotinate ribonucleotide
nicotinate-D-ribonucleotide
nicotinate-delta-ribonucleotide
Nicotinic acid mononucleotide
Nicotinic acid ribonucleotide
Nicotinic acid ribotide
Nicotinic mononucleotide
C11H16NO9P
337.2198
337.056267627
3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1λ⁵-pyridin-1-ylium
3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1λ⁵-pyridin-1-ylium
321-02-8
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC=CC(C1)C(O)=O
InChI=1S/C11H16NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-3,6-10,13-14H,4-5H2,(H2-,15,16,17,18,19)/t6?,7-,8-,9-,10-/m1/s1
OGCWVIVNTBZPBW-BHRXDNSCSA-N
Solid
logp
0.18
logs
-1.60
solubility
9.83e+00 g/l
logp
-5.5
pka_strongest_acidic
1.21
pka_strongest_basic
-3.7
iupac
3-carboxy-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,3-dihydro-1λ⁵-pyridin-1-ylium
average_mass
337.2198
mono_mass
337.056267627
smiles
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC=CC(C1)C(O)=O
formula
C11H16NO9P
inchi
InChI=1S/C11H16NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-3,6-10,13-14H,4-5H2,(H2-,15,16,17,18,19)/t6?,7-,8-,9-,10-/m1/s1
inchikey
OGCWVIVNTBZPBW-BHRXDNSCSA-N
polar_surface_area
159.59
refractivity
80.91
polarizability
28.69
rotatable_bond_count
5
acceptor_count
8
donor_count
4
physiological_charge
-2
formal_charge
0
Nicotinate and Nicotinamide Metabolism
SMP00048
map00760
Specdb::CMs
14125
Specdb::CMs
37941
Specdb::MsMs
180237
Specdb::MsMs
180238
Specdb::MsMs
180239
Specdb::MsMs
182571
Specdb::MsMs
182572
Specdb::MsMs
182573
Specdb::NmrOneD
343388
Specdb::NmrOneD
343389
Specdb::NmrOneD
343390
Specdb::NmrOneD
343391
Specdb::NmrOneD
343392
Specdb::NmrOneD
343393
Specdb::NmrOneD
343394
Specdb::NmrOneD
343395
Specdb::NmrOneD
343396
Specdb::NmrOneD
343397
Specdb::NmrOneD
343398
Specdb::NmrOneD
343399
Specdb::NmrOneD
343400
Specdb::NmrOneD
343401
Specdb::NmrOneD
343402
Specdb::NmrOneD
343403
Specdb::NmrOneD
343404
Specdb::NmrOneD
343405
Specdb::NmrOneD
343406
Specdb::NmrOneD
343407
HMDB01132
15763
1L4F
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
Cytosolic 5'-nucleotidase 3
Q9H0P0
NT5C3