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Melittin

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Name

Melittin

EINECS 253-417-7
CAS No. 20449-79-0 Density 1.39
PSA 1152.34000 LogP 7.51980
Solubility N/A Melting Point N/A
Formula C131H229N39O31 Boiling Point N/A
Molecular Weight 2846.5 Flash Point N/A
Transport Information UN 3462 6.1/PG 1 Appearance N/A
Safety 36-45-36/37/39 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 20449-79-0 (Melittin) Hazard Symbols ToxicT
Synonyms

Melittin (apis cerana);Melittin (honeybee);Honeybee melittin;Bee venom melittin;Forapin;Melittin I;Melitten;11030-50-5;Forapine;glycyl-L-isoleucylglycyl-L-alanyl-L-valyl-L-leucyl-L-lysyl-L-valyl-L-leucyl-Lthreonyl-L-threonylglycyl-L-leucyl-Lprolyl-L-alanyl-L-leucyl-L-isoleucyl-Lseryl-L-tryptophyl-L-isoleucyl-L-lysyl-L-arginyl-L-lysyl-L-arginyl-Lglutaminyl-;L-Glutamamide, glycyl-L-isoleucylglycyl-L-alanyl-L-valyl-L-leucyl-L-lysyl-L-valyl-L-leucyl-L-threonyl-L-threonylglycyl-L-leucyl-L-prolyl-L-alanyl-L-Leucyl-L-isoleucyl-L-seryl-L-tryptophyl-L-isoleucyl-L-lysyl-L-arginyl-L-lysyl-L-arginyl-L-glutaminyl-;Melittin (major);Melittin (major) (8CI);

 

Melittin Specification

The Melittin, with the CAS registry number 11030-50-5, is also known as Glycyl-L-isoleucylglycyl-L-alanyl-L-valyl-L-leucyl-L-lysyl-L-valyl-L-leucyl-L-threonyl-L-threonylglycyl-L-leucyl-L-prolyl-L-alanyl-L-leucyl-L-isoleucyl-L-seryl-L-tryptophyl-L-isoleucyl-L-lysyl-L-arginyl-L-lysyl-L-arginyl-L-glutaminyl-L-glutamamide. It belongs to the product categories of Protein Sequencing; Protein Structural Analysis; Standards for Protein Sequencing; Chelators; Enzyme Inhibitors; Enzyme Inhibitors by Type; Calcium Antagonists Enzyme Inhibitors by Enzyme; Protein Kinase CEnzymes, Inhibitors, and Substrates; Cell Signaling and Neuroscience; Intracellular Calcium Signaling; P to; Protein Kinase Inhibitors and Related Products; Protein Kinases and Phosphatases. Its EINECS registry number is 253-417-7. This chemical's molecular formula is C131H229N39O31 and molecular weight is 2846.46. What's more, its systematic name is called L-Glutamamide, glycyl-L-isoleucylglycyl-L-alanyl-L-valyl-L-leucyl-L-lysyl-L-valyl-L-leucyl-L-threonyl-L-threonylglycyl-L-leucyl-L-prolyl-L-alanyl-L-leucyl-L-isoleucyl-L-seryl-L-tryptophyl-L-isoleucyl-L-lysyl-L-arginyl-L-lysyl-L-arginyl-L-glutaminyl-. It should be stored in a sealed place at 2-10 °C. Melittin is the principal active component of apitoxin (bee venom) and is a powerful stimulator of phospholipase A2. It is a peptide consisting of 26 amino acids with the sequence GIGAVLKVLTTGLPALISWIKRKRQQ.

Computed properties about Melittin are: (1)XLogP3-AA: -2.7; (2)H-Bond Donor: 41; (3)H-Bond Acceptor: 37; (4)Rotatable Bond Count: 99; (5)Tautomer Count: 1000; (6)Exact Mass: 2845.757527; (7)MonoIsotopic Mass: 2844.754172; (8)Topological Polar Surface Area: 1150; (9)Heavy Atom Count: 201; (10)Formal Charge: 0; (11)Complexity: 6300; (12)Isotope Atom Count: 0; (13)Defined Atom Stereocenter Count: 0; (14)Undefined Atom Stereocenter Count: 28; (15)Defined Bond Stereocenter Count: 0; (16)Undefined Bond Stereocenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels. It is harmful in contact with skin and if swallowed. This chemical is toxic by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: CCC(C)C(C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)CN
(2) InChI: InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)/t71-,72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,100-,101-,102-,103-,104-,105-,106-/m0/s1
(3) InChIKey: VDXZNPDIRNWWCW-JFTDCZMZSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intraarterial 400ug/kg (.4mg/kg)   Toxicon. Vol. 13, Pg. 277, 1975.
cat LDLo intravenous 6mg/kg (6mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Toxicon. Vol. 13, Pg. 277, 1975.
mouse LD50 intracrebral 860ug/kg (.86mg/kg)   Toxicon. Vol. 22, Pg. 308, 1984.
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1921, 1972.
mouse LD50 intravenous 3500ug/kg (3.5mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: EXCITEMENT
"Venomous Animals and Their Venoms," Buecherl, W., and E.E. Buckley, eds., 3 vols., New York, Academic Press, Inc., 1968-71Vol. 3, Pg. 61, 1971.
mouse LD50 parenteral 2500ug/kg (2.5mg/kg)   Toxicon. Vol. 12, Pg. 139, 1974.

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