1.0
2011-09-21 00:08:31 UTC
2015-10-09 22:30:26 UTC
FDB022101
Adenylsuccinic acid
Adenylsuccinic acid is a substrate of the enzyme adenylosuccinase [EC 4.3.2.2] in purine metabolism pathway. The accumulation of adenylsuccinic acid in body fluids occurs due to a deficiency of adenylosuccinase. (KEGG; PMID 8412002) [HMDB]
6-Succino-5'-adenylate
6-Succino-5'-adenylic acid
adenyl-Succinic acid
adenylosuccinate
adenylosuccinic acid
Adenylsuccinate
Aspartyl adenylate
D-Ribofuranosyl-9H-purin-6-yl) mono(dihydrogen ate) (ester)
D-ribofuranosyl-9H-purin-6-yl) mono(dihydrogen phosphate) (ester)
D-ribofuranosyl)-9H-purin-6-yl]
N(6)-(1,2-dicarboxyethyl)-AMP
N6-(1,2-Dicarboxyethyl)-AMP
Succinyl AMP
Succinyladenosine 5'-monoate
Succinyladenosine 5'-monophosphate
Succinyladenosine monoorate
Succinyladenosine monooric acid
Succinyladenosine monophosphorate
Succinyladenosine monophosphoric acid
C14H18N5O11P
463.2934
463.074042955
2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid
adenylosuccinate
19046-78-7
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O
InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1
OFBHPPMPBOJXRT-DPXQIYNJSA-N
belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
Purine ribonucleoside monophosphates
Organic compounds
Nucleosides, nucleotides, and analogues
Purine nucleotides
Purine ribonucleotides
Aromatic heteropolycyclic compounds
1,2-diols
6-alkylaminopurines
Amino acids
Aminopyrimidines and derivatives
Aspartic acid and derivatives
Azacyclic compounds
Carbonyl compounds
Carboxylic acids
Dicarboxylic acids and derivatives
Glycosylamines
Heteroaromatic compounds
Hydrocarbon derivatives
Imidolactams
Monoalkyl phosphates
Monosaccharide phosphates
N-substituted imidazoles
Organic oxides
Organopnictogen compounds
Oxacyclic compounds
Pentose phosphates
Secondary alcohols
Secondary alkylarylamines
Tetrahydrofurans
1,2-diol
6-alkylaminopurine
6-aminopurine
Alcohol
Alkyl phosphate
Alpha-amino acid or derivatives
Amine
Amino acid
Amino acid or derivatives
Aminopyrimidine
Aromatic heteropolycyclic compound
Aspartic acid or derivatives
Azacycle
Azole
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Dicarboxylic acid or derivatives
Glycosyl compound
Heteroaromatic compound
Hydrocarbon derivative
Imidazole
Imidazopyrimidine
Imidolactam
Monoalkyl phosphate
Monosaccharide
Monosaccharide phosphate
N-glycosyl compound
N-substituted imidazole
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organic phosphoric acid derivative
Organoheterocyclic compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Oxacycle
Pentose monosaccharide
Pentose phosphate
Pentose-5-phosphate
Phosphoric acid ester
Purine
Purine ribonucleoside monophosphate
Pyrimidine
Secondary alcohol
Secondary aliphatic/aromatic amine
Secondary amine
Tetrahydrofuran
purine ribonucleoside 5'-monophosphate
Solid
logp
-1.96
logs
-2.29
solubility
2.38e+00 g/l
logp
-4.8
pka_strongest_acidic
1.22
pka_strongest_basic
3.81
iupac
2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid
average_mass
463.2934
mono_mass
463.074042955
smiles
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O
formula
C14H18N5O11P
inchi
InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1
inchikey
OFBHPPMPBOJXRT-DPXQIYNJSA-N
polar_surface_area
246.68
refractivity
96.18
polarizability
39.57
rotatable_bond_count
9
acceptor_count
14
donor_count
7
physiological_charge
-4
formal_charge
0
Aspartate Metabolism
SMP00067
map00250
Purine Metabolism
SMP00050
map00230
Specdb::NmrTwoD
1354
Specdb::CMs
20648
Specdb::CMs
37605
Specdb::NmrOneD
1410
Specdb::NmrOneD
287595
Specdb::NmrOneD
287596
Specdb::NmrOneD
287597
Specdb::NmrOneD
287598
Specdb::NmrOneD
287599
Specdb::NmrOneD
287600
Specdb::NmrOneD
287601
Specdb::NmrOneD
287602
Specdb::NmrOneD
287603
Specdb::NmrOneD
287604
Specdb::NmrOneD
287605
Specdb::NmrOneD
287606
Specdb::NmrOneD
287607
Specdb::NmrOneD
287608
Specdb::NmrOneD
287609
Specdb::NmrOneD
287610
Specdb::NmrOneD
287611
Specdb::NmrOneD
287612
Specdb::NmrOneD
287613
Specdb::NmrOneD
287614
Specdb::MsMs
758
Specdb::MsMs
759
Specdb::MsMs
760
Specdb::MsMs
180210
Specdb::MsMs
180211
Specdb::MsMs
180212
Specdb::MsMs
182544
Specdb::MsMs
182545
Specdb::MsMs
182546
HMDB00536
15919
#<Reference:0x00005556756b8f98>
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
Adenylosuccinate lyase
P30566
ADSL