1.02010-04-08 22:07:07 UTC2019-11-26 03:01:08 UTCFDB006399D-Alanyl-D-alanineThe ATP-dependent carboxylate-amine/thiol ligase superfamily is known to contain enzymes catalyzing the formation of various types of peptide, one of which is d-alanyl-d-alanine.(PMID: 16030213); ; The glycopeptide antibiotic vancomycin acts by binding to the D-alanyl-D-alanine terminus of the cell wall precursor lipid II in the cytoplasmic membrane.(PMID: 17418637); ; D-alanine-D-alanine ligase from Thermotoga maritima ATCC 43589 (TmDdl) was a useful biocatalyst for synthesizing D-amino acid dipeptides.D-Alanine-D-alanine ligase (Ddl) catalyzes the biosynthesis of an essential bacterial peptidoglycan precursor D-alanyl-D-alanine and it represents an important target for development of new antibacterial drugs. (PMID: 17267218). D-Alanyl-D-alanine is found in rice.(D-Ala)2Alanyl-d-alanineD-Ala-D-alaD-Alanyl-D-alanineH-D-Ala-D-ala-OHC6H12N2O3160.1711160.084792262-[(2-amino-1-hydroxypropylidene)amino]propanoic acid2-[(2-amino-1-hydroxypropylidene)amino]propanoic acid923-16-0CC(N)C(O)=NC(C)C(O)=OInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)DEFJQIDDEAULHB-UHFFFAOYSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.DipeptidesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic acyclic compoundsAlanine and derivativesAlpha amino acid amidesAmino acidsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonoalkylaminesMonocarboxylic acids and derivativesN-acyl-alpha amino acidsOrganic oxidesOrganopnictogen compoundsSecondary carboxylic acid amidesAlanine or derivativesAliphatic acyclic compoundAlpha-amino acid amideAlpha-amino acid or derivativesAlpha-dipeptideAmineAmino acidAmino acid or derivativesCarbonyl groupCarboxamide groupCarboxylic acidHydrocarbon derivativeMonocarboxylic acid or derivativesN-acyl-alpha amino acid or derivativesN-acyl-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPrimary aliphatic aminePrimary amineSecondary carboxylic acid amideSolidlogp-2.68logs-1.19solubility1.04e+01 g/llogp-2.8pka_strongest_acidic3.45pka_strongest_basic9.57iupac2-[(2-amino-1-hydroxypropylidene)amino]propanoic acidaverage_mass160.1711mono_mass160.08479226smilesCC(N)C(O)=NC(C)C(O)=OformulaC6H12N2O3inchiInChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)inchikeyDEFJQIDDEAULHB-UHFFFAOYSA-Npolar_surface_area95.91refractivity38.32polarizability15.85rotatable_bond_count3acceptor_count5donor_count3physiological_charge0formal_charge0Specdb::CMs22086Specdb::CMs32076Specdb::CMs32077Specdb::CMs40774Specdb::CMs100284Specdb::CMs100285Specdb::CMs117012Specdb::CMs122118Specdb::NmrOneD170721Specdb::NmrOneD170722Specdb::NmrOneD170723Specdb::NmrOneD170724Specdb::NmrOneD170725Specdb::NmrOneD170726Specdb::NmrOneD170727Specdb::NmrOneD170728Specdb::NmrOneD170729Specdb::NmrOneD170730Specdb::NmrOneD170731Specdb::NmrOneD170732Specdb::NmrOneD170733Specdb::NmrOneD170734Specdb::NmrOneD170735Specdb::NmrOneD170736Specdb::NmrOneD170737Specdb::NmrOneD170738Specdb::NmrOneD170739Specdb::NmrOneD170740Specdb::MsMs9413Specdb::MsMs9414Specdb::MsMs9415Specdb::MsMs16085Specdb::MsMs16086Specdb::MsMs16087Specdb::MsMs3395338Specdb::MsMs3395339Specdb::MsMs3395340Specdb::MsMs3395341Specdb::MsMs3395342Specdb::MsMs3395343HMDB0345916576#<Reference:0x0000555676200680>#<Reference:0x00005556762003d8>#<Reference:0x0000555676200130>#<Reference:0x00005556762017d8>#<Reference:0x00005556761ffde8>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Milk (Cow)Type 2specificMountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979RiceType 1specificOryza sativa4530Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823