Cas no 12778-32-4 (b-Bungarotoxin)
b-Bungarotoxin structure
Product Name:b-Bungarotoxin
CAS No:12778-32-4
MF:C50H70O14
MW:895.082417011261
CID:180082
Update Time:2024-01-25
b-Bungarotoxin Chemical and Physical Properties
Names and Identifiers
-
- b-Bungarotoxin
- BETA-BUNGAROTOXIN
- β-Bungarotoxin
- Phospholipase (Bungarus multicinctus)
- BETA-BUTX
- ERABUTOXIN B
- beta-bungarotoxi
- BUNGAROTOXIN (beta-)
- BUNGARUS MULTICINCTUS TOXIN, BETA
- B-BUNGAROTOXIN (BUTX) (BUNGARUS MULTICIN CTU
- Erabutoxin B from Laticauda semifasciata (Sea Snake)
- β-Bungarotoxin from Bungarus multicinctus (Formosan Banded Krait)
-
- Inchi： 1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/t26-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1
- InChI Key： LYTCVQQGCSNFJU-PJLYXUTNSA-N
- SMILES： O1[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])[C@@]4([H])[C@@]([H])(C([H])([H])[C@@]5(C([H])([H])[H])[C@@]([H])(C([H])([H])[C@@]6([H])[C@@]([H])(C(C([H])([H])[H])=C([H])C(=O)O6)O5)O4)O3)O[C@@]2([H])C([H])([H])[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])[C@]1([H])[C@](C([H])([H])[H])(C([H])([H])C([H])=C([H])[C@]3([H])[C@]([H])(C([H])([H])[C@]4([H])[C@]([H])(C([H])([H])[C@]5([H])[C@](C([H])([H])[H])([C@]([H])(C([H])([H])[C@]([H])(C([H])([H])C(=C([H])[H])C([H])=O)O5)O[H])O4)O3)O1)O2
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 64
- Rotatable Bond Count: 3
- Complexity: 1940
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 23
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.7
Experimental Properties
- Color/Form: Lyophilized powder. A neurotoxin obtained from snake venom. It is a protein composed of two subunits with relative molecular weights of 7000 and 13500, respectively
- Solubility: Not determined
b-Bungarotoxin Related Literature
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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