1.0 2016-09-30 23:02:51 UTC 2020-05-21 16:28:30 UTC BMDB0003134 BMDB03134 Biocytin Biocytin, also known as biotinyl-L-lysine, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Biocytin exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa). In cattle, biocytin is involved in the metabolic pathway called the biotin metabolism pathway. (3AS-(3aalpha,4beta,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)-L-lysine Biotinyl-L-lysine epsilon-N-Biotinyl-L-lysine epsilon-N-Biotinyllysine N(epsilon)-Biotinyl-L-lysine N-Biotinyl-L-lysine N6-D-Biotinyl-L-lysine N(6)-D-Biotinyl-L-lysine (3AS-(3aalpha,4b,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)-L-lysine (3AS-(3aalpha,4β,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)-L-lysine H-Lys(biotinyl)-OH N-epsilon-Biotin-L-lysine N6-delta-Biotinyl-L-lysine Ne-biotynyl-L-lysine C16H28N4O4S 372.483 372.183126094 (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid 576-19-2 [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2 InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 BAQMYDQNMFBZNA-MNXVOIDGSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues L-alpha-amino acids Amino acids Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Dialkylthioethers Heterocyclic fatty acids Hydrocarbon derivatives Imidazolines Imidazolyl carboxylic acids and derivatives Isoureas Medium-chain fatty acids Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Thiolanes 2-imidazoline Aliphatic heteropolycyclic compound Amine Amino acid Azacycle Carbonyl group Carboximidamide Carboximidic acid Carboximidic acid derivative Carboxylic acid Dialkylthioether Fatty acid Fatty acyl Heterocyclic fatty acid Hydrocarbon derivative Imidazolyl carboxylic acid derivative Isourea L-alpha-amino acid Medium-chain fatty acid Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Thioether Thiolane Aliphatic heteropolycyclic compounds L-lysine derivative azabicycloalkane monocarboxylic acid amide non-proteinogenic L-alpha-amino acid thiabicycloalkane ureas Solid melting_point 243 - 246 °C logp -0.69 ALOGPS logs -3.33 ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 2.24 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-aminohexanoic acid ChemAxon average_mass 372.483 ChemAxon mono_mass 372.183126094 ChemAxon smiles [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](N)C(O)=O)[C@@]1([H])NC(=O)N2 ChemAxon formula C16H28N4O4S ChemAxon inchi InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 ChemAxon inchikey BAQMYDQNMFBZNA-MNXVOIDGSA-N ChemAxon polar_surface_area 133.55 ChemAxon refractivity 94.66 ChemAxon polarizability 40.19 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Biotin Metabolism SMP0087183 Specdb::CMs 10669 Specdb::CMs 38529 Specdb::CMs 170058 Specdb::MsMs 2200 Specdb::MsMs 2201 Specdb::MsMs 2202 Specdb::MsMs 289507 Specdb::MsMs 289508 Specdb::MsMs 289509 Specdb::MsMs 328933 Specdb::MsMs 328934 Specdb::MsMs 328935 Specdb::MsMs 2428951 Specdb::MsMs 2428952 Specdb::MsMs 2428953 Specdb::MsMs 2507269 Specdb::MsMs 2507270 Specdb::MsMs 2507271 Specdb::NmrTwoD 1864 Specdb::NmrOneD 1929 Specdb::NmrOneD 149420 Specdb::NmrOneD 149421 Specdb::NmrOneD 149422 Specdb::NmrOneD 149423 Specdb::NmrOneD 149424 Specdb::NmrOneD 149425 Specdb::NmrOneD 149426 Specdb::NmrOneD 149427 Specdb::NmrOneD 149428 Specdb::NmrOneD 149429 Specdb::NmrOneD 149430 Specdb::NmrOneD 149431 Specdb::NmrOneD 149432 Specdb::NmrOneD 149433 Specdb::NmrOneD 149434 Specdb::NmrOneD 149435 Specdb::NmrOneD 149436 Specdb::NmrOneD 149437 Specdb::NmrOneD 149438 Specdb::NmrOneD 149439 FDB023111 83814 75634 C05552 27870 Biocytin 46012 BMDBP01240 Biotinidase A6QQ07 BTD Enzyme BMDBP02877 Signal peptidase complex subunit 1 Q3T134 SPCS1 Enzyme