1.0 2011-09-21 00:11:05 UTC 2015-10-09 22:30:26 UTC FDB022260 N-Acetyl-L-aspartic acid N-Acetylaspartic acid is a derivative of aspartic acid. It is the second most concentrated molecule in the brain after the amino acid glutamate. It is synthesized in neurons from the amino acid aspartate and acetyl coenzyme A. The various functions served by N-acetylaspartic acid are still under investigation, but the primary proposed functions include: 1) A neuronal osmolyte that is involved in fluid balance in the brain 2) A source of acetate for lipid and myelin synthesis in oligodendrocytes, the glial cells that myelinate neuronal axons 3) A precursor for the synthesis of the important neuronal dipeptide N-acetylaspartylglutamate 4)N-Acetylaspartic acid may also be involved in energy production from the amino acid glutamate in neuronal mitochondria. [HMDB] (2S)-2-acetamidobutanedioate (2S)-2-acetamidobutanedioic acid (S)-2-(acetylamino)butanedioate (S)-2-(acetylamino)butanedioic acid (S)-2-(acetylamino)Succinate (S)-2-(acetylamino)succinic acid Acetyl-l-aspartate Acetyl-l-aspartic acid Acetylaspartate Acetylaspartic acid L-n-acetylaspartate L-n-acetylaspartic acid N-acetyl-l-aspartate N-acetyl-l-aspartic acid N-acetyl-s-aspartate N-acetyl-s-aspartic acid N-acetylaspartate N-acetylaspartic acid NAA C6H9NO5 175.1394 175.048072403 (2S)-2-acetamidobutanedioic acid acetyl-L-aspartic acid 997-55-7 CC(=O)N[C@@H](CC(O)=O)C(O)=O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 OTCCIMWXFLJLIA-BYPYZUCNSA-N belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Aspartic acid and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Acetamides Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives N-acyl-L-alpha-amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Acetamide Aliphatic acyclic compound Aspartic acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide N-acetyl-L-amino acid N-acyl-L-aspartic acid Solid logp -0.79 ALOGPS logs -0.92 ALOGPS solubility 2.11e+01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic -2 ChemAxon iupac (2S)-2-acetamidobutanedioic acid ChemAxon average_mass 175.1394 ChemAxon mono_mass 175.048072403 ChemAxon smiles CC(=O)N[C@@H](CC(O)=O)C(O)=O ChemAxon formula C6H9NO5 ChemAxon inchi InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 ChemAxon inchikey OTCCIMWXFLJLIA-BYPYZUCNSA-N ChemAxon polar_surface_area 103.7 ChemAxon refractivity 35.98 ChemAxon polarizability 15.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Aspartate Metabolism SMP00067 map00250 Specdb::MsIr 875 Specdb::MsIr 876 Specdb::MsIr 877 Specdb::NmrTwoD 1496 Specdb::CMs 651 Specdb::CMs 652 Specdb::CMs 1326 Specdb::CMs 10695 Specdb::CMs 30634 Specdb::CMs 30635 Specdb::CMs 31234 Specdb::CMs 31708 Specdb::CMs 31709 Specdb::CMs 37780 Specdb::CMs 133754 Specdb::CMs 141488 Specdb::CMs 1077459 Specdb::CMs 1077461 Specdb::CMs 1077463 Specdb::CMs 1077465 Specdb::CMs 1077466 Specdb::CMs 1077468 Specdb::CMs 1077470 Specdb::CMs 1077472 Specdb::CMs 1077474 Specdb::CMs 1077476 Specdb::CMs 1077477 Specdb::NmrOneD 1272 Specdb::NmrOneD 1553 Specdb::NmrOneD 145430 Specdb::NmrOneD 145431 Specdb::NmrOneD 145432 Specdb::NmrOneD 145433 Specdb::NmrOneD 145434 Specdb::NmrOneD 145435 Specdb::NmrOneD 145436 Specdb::NmrOneD 145437 Specdb::NmrOneD 145438 Specdb::NmrOneD 145439 Specdb::NmrOneD 145440 Specdb::NmrOneD 145441 Specdb::NmrOneD 145442 Specdb::NmrOneD 145443 Specdb::NmrOneD 145444 Specdb::NmrOneD 145445 Specdb::NmrOneD 145446 Specdb::NmrOneD 145447 Specdb::NmrOneD 145448 Specdb::NmrOneD 145449 Specdb::NmrOneD 166428 Specdb::MsMs 1161 Specdb::MsMs 1162 Specdb::MsMs 1163 Specdb::MsMs 4691 Specdb::MsMs 4692 Specdb::MsMs 4693 Specdb::MsMs 4694 Specdb::MsMs 4695 Specdb::MsMs 289573 Specdb::MsMs 289574 Specdb::MsMs 289575 Specdb::MsMs 329023 Specdb::MsMs 329024 Specdb::MsMs 329025 Specdb::MsMs 437259 Specdb::MsMs 437260 Specdb::MsMs 437261 Specdb::MsMs 437262 Specdb::MsMs 437263 Specdb::MsMs 440085 Specdb::MsMs 451915 Specdb::MsMs 2236643 Specdb::MsMs 2236746 Specdb::MsMs 2237817 Specdb::MsMs 2238763 HMDB00812 16953 #<Reference:0x000055ce3187f398> #<Reference:0x000055ce3187f1e0> #<Reference:0x000055ce3187f000> #<Reference:0x000055ce3187edf8> #<Reference:0x000055ce3187ec40> #<Reference:0x000055ce3187ea60> #<Reference:0x000055ce3187e8a8> #<Reference:0x000055ce3187e6a0> #<Reference:0x000055ce3187e4c0> #<Reference:0x000055ce3187e308> #<Reference:0x000055ce3187e0d8> #<Reference:0x000055ce3187def8> #<Reference:0x000055ce3187dd40> #<Reference:0x000055ce3187db60> #<Reference:0x000055ce3187d958> #<Reference:0x000055ce3187d7a0> #<Reference:0x000055ce3187d5c0> #<Reference:0x000055ce3187d3b8> #<Reference:0x000055ce3187d200> #<Reference:0x000055ce3187d020> #<Reference:0x000055ce3187cdf0> 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 Aspartoacylase P45381 ASPA Aspartoacylase-2 Q96HD9 ACY3 Glycine N-acyltransferase Q6IB77 GLYAT Glycine N-acyltransferase-like protein 1 Q969I3 GLYATL1 Glycine N-acyltransferase-like protein 2 Q8WU03 GLYATL2