1.0 2010-04-08 22:09:54 UTC 2025-11-18 23:32:17 UTC FDB011940 Bacitracin Permitted food additive for animal and human consumption A cyclic antibiotic polypeptide complex produced by Bacillus subtilis and B. licheniformis, being a mixture of at least nine bacitracins of which bacitracin A is the major component. (ChEBI) Altracin Ayfivin Baci-Jel Baciguent Bacillichin Fortracin Parentracin Penitracin Topitracin Zutracin C66H103N17O16S 1422.71 1421.748941479 (4R)-4-{[(2S)-2-({[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl](hydroxy)methylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-4-{[(1S,2S)-1-{[(3S,6R,9S,12R,15R,18R,21S)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-2,5,8,11,14,17,20-heptahydroxy-3-[(C-hydroxycarbonimidoyl)methyl]-9-[(1H-imidazol-5-yl)methyl]-1,4,7,10,13,16,19-heptaazacyclopentacosa-1,4,7,10,13,16,19-heptaen-21-yl]-C-hydroxycarbonimidoyl}-2-methylbutyl]-C-hydroxycarbonimidoyl}butanoic acid (4R)-4-{[(2S)-2-({[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl](hydroxy)methylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-4-{[(1S,2S)-1-{[(3S,6R,9S,12R,15R,18R,21S)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-2,5,8,11,14,17,20-heptahydroxy-3-(C-hydroxycarbonimidoylmethyl)-9-(3H-imidazol-4-ylmethyl)-1,4,7,10,13,16,19-heptaazacyclopentacosa-1,4,7,10,13,16,19-heptaen-21-yl]-C-hydroxycarbonimidoyl}-2-methylbutyl]-C-hydroxycarbonimidoyl}butanoic acid 1405-87-4 [H][C@](C)(CC)[C@]([H])(N)C1=N[C@@]([H])(CS1)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@]([H])(CCC(O)=O)C(O)=N[C@]([H])(C(O)=N[C@@]1([H])CCCCN=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC2=CN=CN2)N=C(O)[C@@]([H])(CC2=CC=CC=C2)N=C(O)[C@]([H])(N=C(O)[C@@]([H])(CCCN)N=C1O)[C@@]([H])(C)CC)[C@@]([H])(C)CC InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54+/m0/s1 CLKOFPXJLQSYAH-KWOGWQNJSA-N belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group. Macrolide lactams Organic compounds Phenylpropanoids and polyketides Macrolide lactams Aliphatic heteropolycyclic compounds Alpha amino acid esters Azacyclic compounds Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Cyclohexanols Dialkyl ethers Hemiacetals Hydrocarbon derivatives Lactams Lactones Macrolides and analogues Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Piperidines Tertiary carboxylic acid amides Alcohol Aliphatic heteropolycyclic compound Alpha-amino acid ester Alpha-amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclic ketone Cyclohexanol Dialkyl ether Ether Hemiacetal Hydrocarbon derivative Ketone Lactam Lactone Macrolide Macrolide lactam Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Piperidine Secondary alcohol Tertiary carboxylic acid amide logp 0.43 ALOGPS logs -4.48 ALOGPS solubility 4.70e-02 g/l ALOGPS logp 7.31 ChemAxon pka_strongest_acidic 2.63 ChemAxon iupac (4R)-4-{[(2S)-2-({[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl](hydroxy)methylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-4-{[(1S,2S)-1-{[(3S,6R,9S,12R,15R,18R,21S)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-2,5,8,11,14,17,20-heptahydroxy-3-[(C-hydroxycarbonimidoyl)methyl]-9-[(1H-imidazol-5-yl)methyl]-1,4,7,10,13,16,19-heptaazacyclopentacosa-1,4,7,10,13,16,19-heptaen-21-yl]-C-hydroxycarbonimidoyl}-2-methylbutyl]-C-hydroxycarbonimidoyl}butanoic acid ChemAxon average_mass 1422.71 ChemAxon mono_mass 1421.748941479 ChemAxon smiles [H][C@](C)(CC)[C@]([H])(N)C1=N[C@@]([H])(CS1)C(O)=N[C@@]([H])(CC(C)C)C(O)=N[C@]([H])(CCC(O)=O)C(O)=N[C@]([H])(C(O)=N[C@@]1([H])CCCCN=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC2=CN=CN2)N=C(O)[C@@]([H])(CC2=CC=CC=C2)N=C(O)[C@]([H])(N=C(O)[C@@]([H])(CCCN)N=C1O)[C@@]([H])(C)CC)[C@@]([H])(C)CC ChemAxon formula C66H103N17O16S ChemAxon inchi InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54+/m0/s1 ChemAxon inchikey CLKOFPXJLQSYAH-KWOGWQNJSA-N ChemAxon polar_surface_area 570.25 ChemAxon refractivity 380.38 ChemAxon polarizability 148.38 ChemAxon rotatable_bond_count 31 ChemAxon acceptor_count 32 ChemAxon donor_count 18 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1280056 Specdb::MsMs 1280057 Specdb::MsMs 1280058 Specdb::MsMs 1394938 Specdb::MsMs 1394939 Specdb::MsMs 1394940 28669