1.0
2011-09-21 00:40:43 UTC
2015-07-21 06:58:01 UTC
FDB024157
L-2-Aminoadipate adenylate
L-2-Aminoadipate adenylate is an intermediate in Lysine biosynthesis. L-2-Aminoadipate adenylate is the 4th to last step in the synthesis of L-Lysine and is converted from L-2-Aminoadipate via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). It is then converted to alpha-Aminoadipoyl-S-acyl enzyme via the enzyme aminoadipate-semialdehyde dehydrogenase (EC 1.2.1.31). [HMDB]
5-Adenylyl-2-aminoadipate
alpha-Aminoadipoyl-C6-AMP
C16H23N6O10P
490.3618
490.121327498
(2S)-2-amino-6-[({[(3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-6-oxohexanoic acid
(2S)-2-amino-6-({[(3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)-6-oxohexanoic acid
N[C@@H](CCCC(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O
InChI=1S/C16H23N6O10P/c17-7(16(26)27)2-1-3-9(23)32-33(28,29)30-4-8-11(24)12(25)15(31-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,28,29)(H2,18,19,20)/t7-,8?,11+,12+,15?/m0/s1
POJWEBKSMOTPNS-ILUWSIKFSA-N
belongs to the class of organic compounds known as 5'-acylphosphoadenosines. These are ribonucleoside derivatives containing an adenoside moiety, where the phosphate group is acylated.
5'-acylphosphoadenosines
Organic compounds
Nucleosides, nucleotides, and analogues
Purine nucleotides
Purine ribonucleotides
Aromatic heteropolycyclic compounds
1,2-diols
6-aminopurines
Acyl phosphates
Amino acids
Aminopyrimidines and derivatives
Azacyclic compounds
Carbonyl compounds
Carboxylic acid salts
Carboxylic acids
Dicarboxylic acids and derivatives
Glycosylamines
Heteroaromatic compounds
Hydrocarbon derivatives
Hydroxy fatty acids
Imidolactams
L-alpha-amino acids
Medium-chain fatty acids
Monoalkyl phosphates
Monoalkylamines
Monosaccharide phosphates
N-substituted imidazoles
Organic oxides
Organic salts
Organopnictogen compounds
Oxacyclic compounds
Pentose phosphates
Secondary alcohols
Tetrahydrofurans
1,2-diol
5'-acylphosphoadenosine
6-aminopurine
Acyl phosphate
Alcohol
Alkyl phosphate
Alpha-amino acid
Alpha-amino acid or derivatives
Amine
Amino acid
Amino acid or derivatives
Aminopyrimidine
Aromatic heteropolycyclic compound
Azacycle
Azole
Carbonyl group
Carboxylic acid
Carboxylic acid derivative
Carboxylic acid salt
Dicarboxylic acid or derivatives
Fatty acid
Fatty acyl
Glycosyl compound
Heteroaromatic compound
Hydrocarbon derivative
Hydroxy fatty acid
Imidazole
Imidazopyrimidine
Imidolactam
L-alpha-amino acid
Medium-chain fatty acid
Monoalkyl phosphate
Monosaccharide
Monosaccharide phosphate
N-glycosyl compound
N-substituted imidazole
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organic phosphoric acid derivative
Organic salt
Organoheterocyclic compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Oxacycle
Pentose monosaccharide
Pentose phosphate
Pentose-5-phosphate
Phosphoric acid ester
Primary aliphatic amine
Primary amine
Purine
Pyrimidine
Secondary alcohol
Tetrahydrofuran
Solid
logp
-2.24
logs
-2.33
solubility
2.31e+00 g/l
logp
-6.7
pka_strongest_acidic
0.78
pka_strongest_basic
9.53
iupac
(2S)-2-amino-6-[({[(3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-6-oxohexanoic acid
average_mass
490.3618
mono_mass
490.121327498
smiles
N[C@@H](CCCC(=O)OP(O)(=O)OCC1OC([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O
formula
C16H23N6O10P
inchi
InChI=1S/C16H23N6O10P/c17-7(16(26)27)2-1-3-9(23)32-33(28,29)30-4-8-11(24)12(25)15(31-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,24-25H,1-4,17H2,(H,26,27)(H,28,29)(H2,18,19,20)/t7-,8?,11+,12+,15?/m0/s1
inchikey
POJWEBKSMOTPNS-ILUWSIKFSA-N
polar_surface_area
255.46
refractivity
106.46
polarizability
43.51
rotatable_bond_count
11
acceptor_count
13
donor_count
6
physiological_charge
-1
formal_charge
0
Specdb::CMs
24889
Specdb::CMs
39145
Specdb::CMs
161064
Specdb::NmrOneD
150600
Specdb::NmrOneD
150601
Specdb::NmrOneD
150602
Specdb::NmrOneD
150603
Specdb::NmrOneD
150604
Specdb::NmrOneD
150605
Specdb::NmrOneD
150606
Specdb::NmrOneD
150607
Specdb::NmrOneD
150608
Specdb::NmrOneD
150609
Specdb::NmrOneD
150610
Specdb::NmrOneD
150611
Specdb::NmrOneD
150612
Specdb::NmrOneD
150613
Specdb::NmrOneD
150614
Specdb::NmrOneD
150615
Specdb::NmrOneD
150616
Specdb::NmrOneD
150617
Specdb::NmrOneD
150618
Specdb::NmrOneD
150619
Specdb::MsMs
321166
Specdb::MsMs
321167
Specdb::MsMs
321168
Specdb::MsMs
368707
Specdb::MsMs
368708
Specdb::MsMs
368709
Specdb::MsMs
2682840
Specdb::MsMs
2682841
Specdb::MsMs
2682842
Specdb::MsMs
3022620
Specdb::MsMs
3022621
Specdb::MsMs
3022622
HMDB06941
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
Acyl-CoA synthetase family member 4
Q4L235
AASDH
L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase
Q9NRN7
AASDHPPT