1.02011-09-21 00:19:58 UTC2015-07-21 06:57:22 UTCFDB022810HomolanthionineHomolanthionine is formed from homocysteine and homoserine by a condensation analogous to that normally leading to cystathionine. The only other known occurrence of homolanthionine in nature is in a methionine-requiring mutant strain of Escherichia coli. Patients with homocystinuria excrete small amounts of L-homolanthionine in their urine. [HMDB]L-HomolanthionineC8H16N2O6S268.287268.0729069442-amino-4-(3-amino-3-carboxypropanesulfonyl)butanoic acidhomolanthionine31982-10-2NC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=OInChI=1S/C8H16N2O6S/c9-5(7(11)12)1-3-17(15,16)4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)CMACTJDDABKNPX-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).Alpha amino acidsOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic acyclic compoundsAmino acidsCarbonyl compoundsCarboxylic acidsDicarboxylic acids and derivativesHydrocarbon derivativesMonoalkylaminesOrganic oxidesOrganopnictogen compoundsSulfonesThia fatty acidsAliphatic acyclic compoundAlpha-amino acidAmineAmino acidCarbonyl groupCarboxylic acidDicarboxylic acid or derivativesFatty acidFatty acylHydrocarbon derivativeOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfur compoundPrimary aliphatic aminePrimary amineSulfoneSulfonylThia fatty acidSolidlogp-3.98logs-0.95solubility3.04e+01 g/llogp-7.6pka_strongest_acidic1.23pka_strongest_basic8.99iupac2-amino-4-(3-amino-3-carboxypropanesulfonyl)butanoic acidaverage_mass268.287mono_mass268.072906944smilesNC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=OformulaC8H16N2O6SinchiInChI=1S/C8H16N2O6S/c9-5(7(11)12)1-3-17(15,16)4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)inchikeyCMACTJDDABKNPX-UHFFFAOYSA-Npolar_surface_area160.78refractivity57.66polarizability25.19rotatable_bond_count8acceptor_count8donor_count4physiological_charge0formal_charge0Specdb::CMs23551Specdb::CMs38235Specdb::CMs164637Specdb::NmrOneD103038Specdb::NmrOneD103039Specdb::NmrOneD103040Specdb::NmrOneD103041Specdb::NmrOneD103042Specdb::NmrOneD103043Specdb::NmrOneD103044Specdb::NmrOneD103045Specdb::NmrOneD103046Specdb::NmrOneD103047Specdb::NmrOneD103048Specdb::NmrOneD103049Specdb::NmrOneD103050Specdb::NmrOneD103051Specdb::NmrOneD103052Specdb::NmrOneD103053Specdb::NmrOneD103054Specdb::NmrOneD103055Specdb::NmrOneD103056Specdb::NmrOneD103057Specdb::MsMs318178Specdb::MsMs318179Specdb::MsMs318180Specdb::MsMs364882Specdb::MsMs364883Specdb::MsMs364884Specdb::MsMs2674483Specdb::MsMs2674484Specdb::MsMs2674485Specdb::MsMs3034349Specdb::MsMs3034350Specdb::MsMs3034351HMDB02034#<Reference:0x0000555674569210>#<Reference:0x0000555674569058>#<Reference:0x0000555674568ea0>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 platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823