Structure & Deep Data of 8-iso PROSTAGLANDIN E2 (C20H32O5)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 8-iso PROSTAGLANDIN E2 molecule contains a total of 57 bond(s). There are 25 non-H bond(s), 4 multiple bond(s), 12 rotatable bond(s), 4 double bond(s), 1 five-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ketone(s) (aliphatic), 3 hydroxyl group(s), and 2 secondary alcohol(s). Images of the chemical structure of 8-iso PROSTAGLANDIN E2 are given below:

The 2D chemical structure image of 8-iso PROSTAGLANDIN E2 is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 8-iso PROSTAGLANDIN E2 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 8-iso PROSTAGLANDIN E2 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 8-iso PROSTAGLANDIN E2. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 8-iso PROSTAGLANDIN E2 Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 8-iso PROSTAGLANDIN E2

  The SMILES string of 8-iso PROSTAGLANDIN E2 is CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 8-iso PROSTAGLANDIN E2.

• Structure Data File (SDF/MOL File) of 8-iso PROSTAGLANDIN E2

  The structure data file (SDF/MOL File) of 8-iso PROSTAGLANDIN E2 is available for download in the SDF page of 8-iso PROSTAGLANDIN E2, which provides the information about the atoms, bonds, connectivity and coordinates of 8-iso PROSTAGLANDIN E2. The 8-iso PROSTAGLANDIN E2 structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 8-iso PROSTAGLANDIN E2

  The molecular formula of 8-iso PROSTAGLANDIN E2 is available in chemical formula page of 8-iso PROSTAGLANDIN E2, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 8-iso PROSTAGLANDIN E2

  The molecular weight of 8-iso PROSTAGLANDIN E2 is available in molecular weight page of 8-iso PROSTAGLANDIN E2, 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 8-iso PROSTAGLANDIN E2

  The 8-iso PROSTAGLANDIN E2 compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 8-iso PROSTAGLANDIN E2 including the various registry numbers, if available:

  • Prosta-5,13-dien-1-oicacid, 11,15-dihydroxy-9-oxo-, (5Z,8x,12x,13E)- (9CI)
  • (5Z,8-iso,11alpha,13E,15(S))-11,15- dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
  • 7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]hept-5-enoic acid
  • 65085-69-0
  • 5Z,11alpha,13E,15S]-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
  • 11I(2)-Prostaglandin E2
  • 38873-82-4
  • 27415-25-4
  • (-)-Prostaglandin E2
  • ent-Prostaglandin E2

  • 8-iso PROSTAGLANDIN E2
  • 154170-57-7

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8-iso PROSTAGLANDIN E2 Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 8-iso PROSTAGLANDIN E2?
C20H32O5
How many atoms and what are the elements included the 8-iso PROSTAGLANDIN E2 molecule?
57 atom(s) - 32 Hydrogen atom(s), 20 Carbon atom(s), and 5 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 8-iso PROSTAGLANDIN E2 structure?
57 bond(s) - 25 non-H bond(s), 4 multiple bond(s), 12 rotatable bond(s), 4 double bond(s), 1 five-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 ketone(s) (aliphatic), 3 hydroxyl group(s), and 2 secondary alcohol(s)
What’s the 8-iso PROSTAGLANDIN E2’s molecular weight?
352.46508 g/mol
What’s the SMILES code of 8-iso PROSTAGLANDIN E2?
CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(O)=O
What’s the InChI string of 8-iso PROSTAGLANDIN E2?
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
What’s the InChIKey code of 8-iso PROSTAGLANDIN E2?
XEYBRNLFEZDVAW-UHFFFAOYSA-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).