Compound ID | 2752

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Subtilin

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive
Details of activity: Active against Corynebacterium sp., Streptococcus pneumoniae, Lactobacillus casei, Streptococcus faecalis, Streptococcus pyogenes, Mycobacterium phlei, and Mycobacterium smegmatis; membrane-active agent
Description: Natural product from Bacillus subtilis (also produces a less active N-succinylated subtilin); lanthionine-type
Year first mentioned: 1945
Development status: Experimental
Chemical structure(s):
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Molecular weight: 3320.96
Iso. SMILES: CCC(C)C(C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CSC(C2C(=O)NC(CSC(C(C(=O)NC(C(=O)N2)CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CSC(C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N/C(=C\C)/C(=O)N4)CCC(=O)N)CC(C)C)C)NC(=O)C(C(C)C)NC(=O)C5CSC(C(C(=O)N6CCCC6C(=O)NCC(=O)N5)NC(=O)C7CSCC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)N7)CC(C)C)CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC8=CNC9=CC=CC=C98)N)C)C)C)C(=O)NC(C(=O)N1)CC(=O)N)C
InChI Key: WPLOVIFNBMNBPD-ATHMIXSHSA-N
Can. SMILES: CCC(C)C(C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CSC(C)C2C(=O)NC(CSC(C)C(C(=O)NC(CC(C)C)C(=O)N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CSC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)N/C(=C\C)/C(=O)N4)NC(=O)C(C(C)C)NC(=O)C5CSC(C)C(C(=O)N6CCCC6C(=O)NCC(=O)N5)NC(=O)C7CSCC(C(=O)NC(CCC(=O)O)C(=O)NC(=C)C(=O)NC(CC(C)C)C(=O)N7)NC(=O)C(CCCCN)NC(=O)C(CC8=CNC9=C8C=CC=C9)N)C(=O)NC(CC(=O)N)C(=O)N1
InChI: InChI=1S/C148H227N39O38S5/c1-21-74(13)114(144(220)161-77(16)120(196)169-93(148(224)225)41-30-33-51-151)182-127(203)89(40-29-32-50-150)165-136(212)103-66-228-80(19)117-146(222)180-105(138(214)174-99(59-109(155)190)133(209)179-103)68-229-79(18)116(145(221)175-97(56-72(9)10)134(210)184-117)183-128(204)91(44-47-108(154)189)167-130(206)96(55-71(7)8)172-132(208)98(57-82-35-24-23-25-36-82)173-137(213)104-67-227-78(17)115(142(218)158-61-110(191)159-75(14)119(195)170-94(53-69(3)4)129(205)166-90(43-46-107(153)188)126(202)163-86(22-2)123(199)178-104)185-143(219)113(73(11)12)181-140(216)102-65-230-81(20)118(147(223)187-52-34-42-106(187)141(217)157-62-111(192)162-102)186-139(215)101-64-226-63-100(135(211)168-92(45-48-112(193)194)124(200)160-76(15)121(197)171-95(54-70(5)6)131(207)177-101)176-125(201)88(39-28-31-49-149)164-122(198)85(152)58-83-60-156-87-38-27-26-37-84(83)87/h22-27,35-38,60,69-75,78-81,85,88-106,113-118,156H,15-16,21,28-34,39-59,61-68,149-152H2,1-14,17-20H3,(H2,153,188)(H2,154,189)(H2,155,190)(H,157,217)(H,158,218)(H,159,191)(H,160,200)(H,161,220)(H,162,192)(H,163,202)(H,164,198)(H,165,212)(H,166,205)(H,167,206)(H,168,211)(H,169,196)(H,170,195)(H,171,197)(H,172,208)(H,173,213)(H,174,214)(H,175,221)(H,176,201)(H,177,207)(H,178,199)(H,179,209)(H,180,222)(H,181,216)(H,182,203)(H,183,204)(H,184,210)(H,185,219)(H,186,215)(H,193,194)(H,224,225)/b86-22-
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16129737
Citations:
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2224776/
  • https://journals.sagepub.com/doi/epdf/10.3181/00379727-60-15091

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