Structure & Deep Data of Ziconotide (C102H172N36O32S7)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Ziconotide molecule contains a total of 352 bond(s). There are 180 non-H bond(s), 34 multiple bond(s), 40 rotatable bond(s), 28 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 primary amide(s) (aliphatic), 24 secondary amide(s) (aliphatic), 2 guanidine derivative(s), 7 primary amine(s) (aliphatic), 2 secondary amine(s) (aliphatic), 5 hydroxyl group(s), 1 aromatic hydroxyl(s), 3 primary alcohol(s), 1 secondary alcohol(s), 1 sulfide(s), and 3 disulfide(s). Images of the chemical structure of Ziconotide are given below:

The 2D chemical structure image of Ziconotide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Ziconotide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Ziconotide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Ziconotide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Ziconotide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Ziconotide

  The SMILES string of Ziconotide is , which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Ziconotide.

• Structure Data File (SDF/MOL File) of Ziconotide

  The structure data file (SDF/MOL File) of Ziconotide is available for download in the SDF page of Ziconotide, which provides the information about the atoms, bonds, connectivity and coordinates of Ziconotide. The Ziconotide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Ziconotide

  The molecular formula of Ziconotide is available in chemical formula page of Ziconotide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Ziconotide

  The molecular weight of Ziconotide is available in molecular weight page of Ziconotide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Ziconotide

  The Ziconotide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Ziconotide including the various registry numbers, if available:

  • 150770-63-1
  • 148979-97-9
  • 148979-96-8
  • Y-100004
  • omega-Conotoxin MVIIA, >=95% (HPLC)
  • 7I64C51O16
  • MFCD00145036
  • L-Cysteinyl-L-lysylglycyl-L-lysylglycyl-L-alanyl-L-lysyl-L-cysteinyl-L-seryl-L-arginyl-L-leucyl-L-methionyl-L-tyrosyl-L-alpha-aspartyl-L-cysteinyl-L-cysteinyl-L-threonylglycyl-L-seryl-L-cysteinyl-L-arginyl-L-serylglycyl-L-lysyl-L-cysteinamide cyclic (1-16),(8-20),(15-25)-tris(disulfide)
  • 08CON001
  • GTPL2536

  • Conotoxin MVIIA_Smartox
  • Omega conotoxin MVIIA
  • CTX MVIIA
  • omega-Conotoxin M VIIA (reduced), cyclic (1-16),(8-20),(15-25)-tris(disulfide)
  • Conotoxin MVIIA
  • Ziconotide [USAN:INN]
  • DRG-0250
  • Ziconotide acetate
  • omega-Conotoxin M VIIA
  • omega-Conotoxin mviia, conus magus

  • omega-Conopeptide MVIIA (Conus)
  • 107452-89-1
  • SNX-111
  • omega-conotoxin MVIIA
  • Prialt
  • Ziconotide

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Ziconotide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Ziconotide?
C102H172N36O32S7
How many atoms and what are the elements included the Ziconotide molecule?
349 atom(s) - 172 Hydrogen atom(s), 102 Carbon atom(s), 36 Nitrogen atom(s), 32 Oxygen atom(s), and 7 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Ziconotide structure?
352 bond(s) - 180 non-H bond(s), 34 multiple bond(s), 40 rotatable bond(s), 28 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 primary amide(s) (aliphatic), 24 secondary amide(s) (aliphatic), 2 guanidine derivative(s), 7 primary amine(s) (aliphatic), 2 secondary amine(s) (aliphatic), 5 hydroxyl group(s), 1 aromatic hydroxyl(s), 3 primary alcohol(s), 1 secondary alcohol(s), 1 sulfide(s), and 3 disulfide(s)
What’s the Ziconotide’s molecular weight?
2639.13408 g/mol
What’s the SMILES code of Ziconotide?
What’s the InChI string of Ziconotide?
InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1
What’s the InChIKey code of Ziconotide?
BPKIMPVREBSLAJ-QTBYCLKRSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).