1.02010-04-08 22:13:11 UTC2018-05-29 01:32:26 UTCFDB017588Pediocin AcHIsolated from Pediococcus acidilacici PAC-10 and 43200Pediocin AcHC196H297N61O60S54628.24625.066781877111745-56-3[H][C@](C)(O)[C@]([H])(N=C(O)[C@]([H])(C)N=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)N=C(O)[C@]([H])(C)N=C(O)[C@]([H])(CCSC)N=C(O)[C@]([H])(C)N=C(O)CN=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CS)N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(C)N=C(O)[C@]([H])(CCCCN)N=C(O)CN=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CS)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CC1([H])C=NC=N1)N=C(O)[C@]([H])(CCCCN)N=C(O)CN=C(O)[C@]([H])(CS)N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)CN=C(O)[C@]([H])(CC(O)=N)N=C(O)CN=C(O)[C@]([H])(CC1=CC=C(O)C=C1)N=C(O)[C@]([H])(CC1=CC=C(O)C=C1)N=C(O)[C@@]([H])(N)CCCCN)C(C)C)[C@@]([H])(C)O)C(C)C)[C@@]([H])(C)O)[C@@]([H])(C)O)[C@@]([H])(C)CC)[C@@]([H])(C)CC)C(O)=NCC(O)=NCC(O)=N[C@@]([H])(CC1([H])C=NC=N1)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=NCC(O)=N[C@@]([H])(CC(O)=N)C(=O)OC(=O)[C@]([H])(CS)N=C(O)[C@]([H])(CCCCN)N=C(O)[C@@]([H])(N)CC1([H])C=NC=N1InChI=1S/C196H297N61O60S5/c1-18-92(7)155(190(310)242-130(65-142(206)269)181(301)241-129(64-141(205)268)171(291)215-75-145(272)224-94(9)161(281)233-121(50-55-322-17)174(294)225-95(10)162(282)236-125(59-105-69-212-116-36-23-21-33-112(105)116)177(297)227-97(12)163(283)254-157(98(13)260)187(307)220-73-144(271)213-74-146(273)230-126(61-107-71-209-88-222-107)179(299)235-120(48-49-139(203)266)167(287)214-79-150(277)232-132(66-143(207)270)195(315)317-196(316)138(86-321)249-176(296)119(39-27-31-54-200)234-166(286)114(202)60-106-70-208-87-221-106)253-191(311)156(93(8)19-2)252-186(306)137(85-320)248-193(313)159(100(15)262)257-194(314)160(101(16)263)255-164(284)96(11)226-173(293)117(37-25-29-52-198)228-147(274)76-217-169(289)124(58-104-68-211-115-35-22-20-32-111(104)115)239-182(302)131(67-152(279)280)243-188(308)154(91(5)6)251-184(304)134(82-259)245-185(305)136(84-319)246-183(303)133(81-258)244-180(300)127(62-108-72-210-89-223-108)240-175(295)118(38-26-30-53-199)229-148(275)77-219-172(292)135(83-318)247-192(312)158(99(14)261)256-189(309)153(90(3)4)250-151(278)80-218-170(290)128(63-140(204)267)231-149(276)78-216-168(288)122(56-102-40-44-109(264)45-41-102)238-178(298)123(57-103-42-46-110(265)47-43-103)237-165(285)113(201)34-24-28-51-197/h20-23,32-33,35-36,40-47,68-72,87-101,106-108,113-114,117-138,153-160,211-212,258-265,318-321H,18-19,24-31,34,37-39,48-67,73-86,197-202H2,1-17H3,(H2,203,266)(H2,204,267)(H2,205,268)(H2,206,269)(H2,207,270)(H,213,271)(H,214,287)(H,215,291)(H,216,288)(H,217,289)(H,218,290)(H,219,292)(H,220,307)(H,224,272)(H,225,294)(H,226,293)(H,227,297)(H,228,274)(H,229,275)(H,230,273)(H,231,276)(H,232,277)(H,233,281)(H,234,286)(H,235,299)(H,236,282)(H,237,285)(H,238,298)(H,239,302)(H,240,295)(H,241,301)(H,242,310)(H,243,308)(H,244,300)(H,245,305)(H,246,303)(H,247,312)(H,248,313)(H,249,296)(H,250,278)(H,251,304)(H,252,306)(H,253,311)(H,254,283)(H,255,284)(H,256,309)(H,257,314)(H,279,280)/t92-,93-,94-,95-,96-,97-,98+,99+,100+,101+,106?,107?,108?,113-,114-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,153-,154-,155-,156-,157-,158-,159-,160-/m0/s1FLTWKHKMXZLDNR-CVMNUACMSA-N belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.PolypeptidesOrganic compoundsOrganic PolymersPolypeptidesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids3-alkylindolesAlanine and derivativesAlkylthiolsAlpha amino acid amidesAmino acidsAmphetamines and derivativesAsparagine and derivativesAspartic acid and derivativesAzacyclic compoundsCarbonyl compoundsCarboxylic acid anhydridesCarboxylic acidsCysteine and derivativesDialkylthioethersGlutamine and derivativesHeteroaromatic compoundsHydrocarbon derivativesImidazolesIsoleucine and derivativesMethionine and derivativesMonoalkylaminesN-acyl aminesN-acyl-alpha amino acids and derivativesOrganic oxidesOrganopnictogen compoundsPeptidesPhenylalanine and derivativesPrimary alcoholsPrimary carboxylic acid amidesPropargyl-type 1,3-dipolar organic compoundsSecondary alcoholsSecondary carboxylic acid amidesSerine and derivativesSubstituted pyrrolesSulfenyl compoundsTricarboxylic acids and derivativesTryptamines and derivativesTyrosine and derivativesValine and derivatives1-hydroxy-2-unsubstituted benzenoid3-alkylindoleAlanine or derivativesAlcoholAlkylthiolAlpha peptideAlpha-amino acid amideAlpha-amino acid or derivativesAmineAmino acidAmino acid or derivativesAmphetamine or derivativesAromatic heteropolycyclic compoundAsparagine or derivativesAspartic acid or derivativesAzacycleBenzenoidCarbonyl groupCarboxamide groupCarboxylic acidCarboxylic acid anhydrideCarboxylic acid derivativeCysteine or derivativesDialkylthioetherFatty acylFatty amideGlutamine or derivativesHeteroaromatic compoundHydrocarbon derivativeImidazoleIndoleIndole or derivativesIsoleucine or derivativesMethionine or derivativesMonocyclic benzene moietyN-acyl-alpha amino acid or derivativesN-acyl-amineN-substituted-alpha-amino acidOrganic 1,3-dipolar compoundOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfur compoundPhenolPhenylalanine or derivativesPolypeptidePrimary alcoholPrimary aliphatic aminePrimary aminePrimary carboxylic acid amidePropargyl-type 1,3-dipolar organic compoundPyrroleSecondary alcoholSecondary carboxylic acid amideSerine or derivativesSubstituted pyrroleSulfenyl compoundThioetherTricarboxylic acid or derivativesTriptanTyrosine or derivativesValine or derivativesaverage_mass4628.2mono_mass4625.066781877smiles[H][C@](C)(O)[C@]([H])(N=C(O)[C@]([H])(C)N=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)N=C(O)[C@]([H])(C)N=C(O)[C@]([H])(CCSC)N=C(O)[C@]([H])(C)N=C(O)CN=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CS)N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(C)N=C(O)[C@]([H])(CCCCN)N=C(O)CN=C(O)[C@]([H])(CC1=CNC2=CC=CC=C12)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CS)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CC1([H])C=NC=N1)N=C(O)[C@]([H])(CCCCN)N=C(O)CN=C(O)[C@]([H])(CS)N=C(O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)CN=C(O)[C@]([H])(CC(O)=N)N=C(O)CN=C(O)[C@]([H])(CC1=CC=C(O)C=C1)N=C(O)[C@]([H])(CC1=CC=C(O)C=C1)N=C(O)[C@@]([H])(N)CCCCN)C(C)C)[C@@]([H])(C)O)C(C)C)[C@@]([H])(C)O)[C@@]([H])(C)O)[C@@]([H])(C)CC)[C@@]([H])(C)CC)C(O)=NCC(O)=NCC(O)=N[C@@]([H])(CC1([H])C=NC=N1)C(O)=N[C@@]([H])(CCC(O)=N)C(O)=NCC(O)=N[C@@]([H])(CC(O)=N)C(=O)OC(=O)[C@]([H])(CS)N=C(O)[C@]([H])(CCCCN)N=C(O)[C@@]([H])(N)CC1([H])C=NC=N1formulaC196H297N61O60S5inchiInChI=1S/C196H297N61O60S5/c1-18-92(7)155(190(310)242-130(65-142(206)269)181(301)241-129(64-141(205)268)171(291)215-75-145(272)224-94(9)161(281)233-121(50-55-322-17)174(294)225-95(10)162(282)236-125(59-105-69-212-116-36-23-21-33-112(105)116)177(297)227-97(12)163(283)254-157(98(13)260)187(307)220-73-144(271)213-74-146(273)230-126(61-107-71-209-88-222-107)179(299)235-120(48-49-139(203)266)167(287)214-79-150(277)232-132(66-143(207)270)195(315)317-196(316)138(86-321)249-176(296)119(39-27-31-54-200)234-166(286)114(202)60-106-70-208-87-221-106)253-191(311)156(93(8)19-2)252-186(306)137(85-320)248-193(313)159(100(15)262)257-194(314)160(101(16)263)255-164(284)96(11)226-173(293)117(37-25-29-52-198)228-147(274)76-217-169(289)124(58-104-68-211-115-35-22-20-32-111(104)115)239-182(302)131(67-152(279)280)243-188(308)154(91(5)6)251-184(304)134(82-259)245-185(305)136(84-319)246-183(303)133(81-258)244-180(300)127(62-108-72-210-89-223-108)240-175(295)118(38-26-30-53-199)229-148(275)77-219-172(292)135(83-318)247-192(312)158(99(14)261)256-189(309)153(90(3)4)250-151(278)80-218-170(290)128(63-140(204)267)231-149(276)78-216-168(288)122(56-102-40-44-109(264)45-41-102)238-178(298)123(57-103-42-46-110(265)47-43-103)237-165(285)113(201)34-24-28-51-197/h20-23,32-33,35-36,40-47,68-72,87-101,106-108,113-114,117-138,153-160,211-212,258-265,318-321H,18-19,24-31,34,37-39,48-67,73-86,197-202H2,1-17H3,(H2,203,266)(H2,204,267)(H2,205,268)(H2,206,269)(H2,207,270)(H,213,271)(H,214,287)(H,215,291)(H,216,288)(H,217,289)(H,218,290)(H,219,292)(H,220,307)(H,224,272)(H,225,294)(H,226,293)(H,227,297)(H,228,274)(H,229,275)(H,230,273)(H,231,276)(H,232,277)(H,233,281)(H,234,286)(H,235,299)(H,236,282)(H,237,285)(H,238,298)(H,239,302)(H,240,295)(H,241,301)(H,242,310)(H,243,308)(H,244,300)(H,245,305)(H,246,303)(H,247,312)(H,248,313)(H,249,296)(H,250,278)(H,251,304)(H,252,306)(H,253,311)(H,254,283)(H,255,284)(H,256,309)(H,257,314)(H,279,280)/t92-,93-,94-,95-,96-,97-,98+,99+,100+,101+,106?,107?,108?,113-,114-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,153-,154-,155-,156-,157-,158-,159-,160-/m0/s1inchikeyFLTWKHKMXZLDNR-CVMNUACMSA-N