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Plantaricin A

CAT: 0931-T80310-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80310-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131463-18-8
Target
Others, ROS, Antibacterial
Related Pathways
Others, Immunology/Inflammation, Microbiology/Virology
Bioactivity
Plantaricin A, an antimicrobial peptide extracted from Lactobacillus plantarum, exhibits efficacy against bacteria [1].
Molecular Formula
C140H222N36O34S
Molecular Weight
2985.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Plantaricin A

Plantaricin A is an oligopeptide.

CAS Number131463-18-8
PubChem CID139587859
IUPAC Name2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[1-[[2-[[1-[[3-hydroxy-1-[[1-[(3-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]pentanediamide
Molecular FormulaC46H75N11O14S
Molecular Weight1038.2
XLogP-1.8
Topological Polar Surface Area434
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count33
Heavy Atom Count72
Formal Charge0
Complexity1840
SMILES
CCC(C)C(C=O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)CNC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C46H75N11O14S/c1-9-24(4)34(21-58)55-39(64)26(6)51-46(71)38(27(7)60)57-40(65)25(5)50-37(63)20-49-42(67)32(16-17-72-8)53-43(68)31(14-15-36(48)62)52-44(69)33(18-23(2)3)54-45(70)35(22-59)56-41(66)30(47)19-28-10-12-29(61)13-11-28/h10-13,21,23-27,30-35,38,59-61H,9,14-20,22,47H2,1-8H3,(H2,48,62)(H,49,67)(H,50,63)(H,51,71)(H,52,69)(H,53,68)(H,54,70)(H,55,64)(H,56,66)(H,57,65)
InChIKey
XWJYGTDYKZLURA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Plantaricin A
CAS: 131463-18-8
CID: 139587859
Formula: C46H75N11O14S
MW: 1038.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1038.2
XLogP3-1.8
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count33
Exact Mass1037.52156728
Monoisotopic Mass1037.52156728
Topological Polar Surface Area434 Ų
Heavy Atom Count72
Formal Charge0
Complexity1840
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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