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20449-79-0

20449-79-0 structural image
Product Name: MELITTIN
Formula: C131H229N39O31
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 613.37 Ų [M+2H]2+ [CCS Type: DT, Method: stepped-field]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 2846.5 g/mol
XLogP3 -2.7
Hydrogen Bond Donor Count 41
Hydrogen Bond Acceptor Count 37
Rotatable Bond Count 99
Exact Mass 2845.7575265 g/mol
Monoisotopic Mass 2844.7541717 g/mol
Topological Polar Surface Area 1150 Ų
Heavy Atom Count 201
Formal Charge 0
Complexity 6300
Isotope Atom Count 0
Defined Atom Stereocenter Count 28
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Melittin is a 26-membered polypeptide consisting of Gly, Ile, Gly, Ala, Val, Leu, Lys, Val, Leu, Thr, Thr, Gly, Leu, Pro, Ala, Leu, Ile, Ser, Trp, Ile, Lys, Arg, Lys, Arg, Gln and Gln-NH2 residues joined in sequence. It is the principal active component of bee venom. It has a role as an animal metabolite, a venom, an EC 2.7.11.13 (protein kinase C) inhibitor, a hepatoprotective agent, an apoptosis inducer, a neuroprotective agent and an antineoplastic agent. It is a polypeptide and a peptidyl amide.