Nisin | CAS No. 1414-45-5

Nisin

Basic Information

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CAS Number

1414-45-5

Molecular Formula

C143H230N42O37S7

Molecular Weight

3354.07 g/mol

EINECS

215-807-5

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>300°C

Boiling Point

2967℃

Density

1.02 g/mL

Water Solubility

Soluble in water

Flash Point

>110°(230°F)

Refractive Index

1.635

SMILES

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C=C(NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CS[C@@H](C)[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CS[C@@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CS[C@@H](C)[C@H](NC(=O)[C@@H]5CSC[C@@H](NC(=O)/C(=C/C)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=C)C(=O)N[C@@H](CC(C)C)C(=O)N5)C(=O)N5CCC[C@H]5C(=O)NCC(=O)N4)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N3)[C@H](C)SC[C@H](NC2=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C143H230N42O37S7/c1-24-69(11)105(148)135(213)162-82(27-4)118(196)174-94-58-225-59-95(175-123(201)89(48-67(7)8)169-115(193)74(16)158-138(216)107(70(12)25-2)180-132(94)210)133(211)184-112-79(21)229-61-96(160-104(190)56-152-134(212)100-38-34-44-185(100)142(112)220)128(206)164-84(36-29-32-42-145)120(198)182-109-76(18)226-60-97(161-103(189)55-151-117(195)85(39-45-223-22)165-122(200)88(47-66(5)6)168-113(191)72(14)156-102(188)54-153-136(109)214)129(207)171-92(51-101(147)187)125(203)166-86(40-46-224-23)119(197)163-83(35-28-31-41-144)121(199)183-110-77(19)228-63-99-130(208)170-90(49-80-52-149-64-154-80)124(202)176-98(62-227-78(20)111(141(219)177-99)181-116(194)75(17)159-140(110)218)131(209)173-93(57-186)127(205)179-108(71(13)26-3)139(217)172-91(50-81-53-150-65-155-81)126(204)178-106(68(9)10)137(215)157-73(15)114(192)167-87(143(221)222)37-30-33-43-146/h27,52-53,64-72,75-79,83-100,105-112,186H,15-16,24-26,28-51,54-63,144-146,148H2,1-14,17-23H3,(H2,147,187)(H,149,154)(H,150,155)(H,151,195)(H,152,212)(H,153,214)(H,156,188)(H,157,215)(H,158,216)(H,159,218)(H,160,190)(H,161,189)(H,162,213)(H,163,197)(H,164,206)(H,165,200)(H,166,203)(H,167,192)(H,168,191)(H,169,193)(H,170,208)(H,171,207)(H,172,217)(H,173,209)(H,174,196)(H,175,201)(H,176,202)(H,177,219)(H,178,204)(H,179,205)(H,180,210)(H,181,194)(H,182,198)(H,183,199)(H,184,211)(H,221,222)/b82-27-/t69-,70-,71-,72-,75-,76-,77-,78-,79-,83-,84-,85-,86-,87-,88+,89-,90-,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,105-,106-,107-,108-,109-,110+,111+,112-/m0/s1

InChIKey

NVNLLIYOARQCIX-IYPQCFSLSA-N

LogP

-11.470700000000061

Topological Polar Surface Area

1213.5699999999997 Å²

Hydrogen Bond Donor/Acceptor

46 / 79

Complexity

7840

Safety Information

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Toxicity

mouse,LD50,intravenous,100mg/kg (100mg/kg),"CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(2), Pg. 228, 1980.

Synonyms & References

English

L-Isoleucyl-(Z)-2,3-didehydro-2-aminobutanoyl-D-cysteinyl-L-isoleucyl-2,3-didehydroalanyl-L-leucyl-L-cysteinyl-threo-3-mercapto-D-2-aminobutanoyl-L-prolylglycyl-L-cysteinyl-L-lysyl-threo-3-mercapto-D-2-aminobutanoylglycyl-L-alanyl-L-leucyl-L-methionylglycyl-L-cysteinyl-L-asparaginyl-L-methionyl-L-lysyl-threo-3-mercapto-D-2-aminobutanoyl-L-alanyl-threo-3-mercapto-D-2-aminobutanoyl-L-cysteinyl-L-histidyl-L-cysteinyl-L-seryl-L-isoleucyl-L-histidyl-L-valyl-2,3-didehydroalanyl-L-lysine cyclic (3->7),(8->11),(13->19),(23->26),(25->28)-pentakis(sulfide)
NISIN
nsc-112903
Streptococcus element (element)
Nisin from Lactococcus lactis Vetec(TM) reagent grade, 2.5% (balance sodium chloride and denatured milk solids)
Nisin from Lactococcus lactis
NISINSTREPTOCOCCUS LACTIS
nisin from streptococcus lactis
28)-pentakis(sulfide)
NisinC143H228N42O37S7
nisin from lactococcus lactis
Ambicin N
Nisin A
Lactic acid streptomycin
L-Isoleucyl-(Z)-2,3-didehydro-2-aminobutanoyl-D-cysteinyl-L-isoleucyl-2,3-didehydroalanyl-L-leucyl-L-cysteinyl-threo-3-mercapto-D-2-aminobutanoyl-L-prolylglycyl-L-cysteinyl-L-lysyl-threo-3-mercapto-D-
Nisin

MDL Number

MFCD16661185

EC Number

215-807-5

FAQ

What is Nisin (CAS: 1414-45-5)?

Nisin is a natural antimicrobial peptide produced by Lactococcus lactis, commonly used as a food preservative. It has the molecular formula C12H17NO5 and exhibits strong activity against Gram-positive bacteria. Nisin is known for its ability to inhibit the growth of spoilage and pathogenic microorganisms, making it a valuable compound in various industries.

What are the main uses of Nisin (CAS: 1414-45-5)?

Nisin is primarily used in the food industry as a natural preservative to extend shelf life and prevent microbial contamination. It also finds applications in pharmaceuticals for wound healing and in research for studying antimicrobial mechanisms. Additionally, it is used in the dairy industry to control bacterial growth in cheese and milk products.

Is Nisin (CAS: 1414-45-5) safe?

Nisin is generally recognized as safe (GRAS) by the FDA and is approved for use in food and pharmaceutical applications. It has low toxicity and is considered non-harmful to humans when used as intended. However, proper handling and storage are necessary to maintain its efficacy and safety, especially in industrial settings.

How should Nisin (CAS: 1414-45-5) be stored?

Nisin should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in airtight containers at temperatures below 25°C to maintain stability. Proper storage conditions are essential to preserve its antimicrobial activity and ensure long-term effectiveness.