Structure & Deep Data of METENEPROST (C23H38O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The METENEPROST molecule contains a total of 65 bond(s). There are 27 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), 3 hydroxyl group(s), and 2 secondary alcohol(s). Images of the chemical structure of METENEPROST are given below:

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

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Additional Information for Identifying METENEPROST Molecule

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

  The SMILES string of METENEPROST is CCCCC(C)(C)C(O)C=CC1C(O)CC(=C)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 METENEPROST.

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

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

• Chemical formula of METENEPROST

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

• Molecular weight of METENEPROST

  The molecular weight of METENEPROST is available in molecular weight page of METENEPROST, 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 METENEPROST

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

  • prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-methylene, (5Z,11 alpha,13E,15R)-
  • (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-methylidenecyclopentyl]hept-5-enoic acid
  • 9-DEOXY-9-METHYLENE-16,16-DIMETHYLPROSTAGLANDINE2
  • 9-deoxy-16,16-dimethyl-9-methylene-PGF2
  • LMFA03010059
  • 1569AH
  • 9-methylene-16,16-dimethyl PGE2
  • Prosta-5,13-dien-1-oicacid, 11,15-dihydroxy-16,16-dimethyl-9-methylene-, (5Z,11a,13E,15R)-
  • HMS3648H05
  • 9-deoxy-9-methylene-16,16-dimethyl Prostaglandin E2

  • Meteneprost (USAN/INN)
  • U-46785
  • 9-methylene-PGE2
  • Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-methylene-, (5Z,11alpha,13E,15R)-
  • 5-Heptenoic acid, 7-(5,5-dimethyl-3-hydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-
  • 9-methylene-11R,15S-dihydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid
  • 9-deoxy-9-methylene-16,16-dimethyl -Prostaglandin E2
  • (Z)-7-((1R,2R,3R)-3-Hydroxy-2-((E)-(3R)-3-hydroxy-4,4-dimethyl-1-octenyl)-5-methylenecyclopentyl)-5-heptenoic acid
  • 7-(5,5-Dimethyl-3-hydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-5-heptenoic acid
  • (5Z,11R,13E,15R)-11,15-Dihydroxy-16,16-dimethyl-9-methylen-5,13-prostadiensaeure

  • 9-deoxy-9-methylene-16,16-dimethyl -PGE2
  • 9-Deoxo-16,16-dimethyl-9-methyleneprostaglandin E2
  • U-46,785
  • U 46785
  • 9-Deoxo-16,16-dimethyl-9-methylene-pge2
  • 269EB4R1TV
  • 61263-35-2
  • Meteneprostum [INN-Latin]
  • Meteneprost [USAN:INN]
  • Meteneprostum [Latin]

  • Meteneprostum
  • METENEPROST
  • D02726

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METENEPROST Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of METENEPROST?
C23H38O4
How many atoms and what are the elements included the METENEPROST molecule?
65 atom(s) - 38 Hydrogen atom(s), 23 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the METENEPROST structure?
65 bond(s) - 27 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), 3 hydroxyl group(s), and 2 secondary alcohol(s)
What’s the METENEPROST’s molecular weight?
378.54542 g/mol
What’s the SMILES code of METENEPROST?
CCCCC(C)(C)C(O)C=CC1C(O)CC(=C)C1CC=CCCCC(O)=O
What’s the InChI string of METENEPROST?
InChI=1S/C23H38O4/c1-5-6-15-23(3,4)21(25)14-13-19-18(17(2)16-20(19)24)11-9-7-8-10-12-22(26)27/h7,9,13-14,18-21,24-25H,2,5-6,8,10-12,15-16H2,1,3-4H3,(H,26,27)/b9-7-,14-13+/t18-,19+,20+,21+/m0/s1
What’s the InChIKey code of METENEPROST?
WMLGLMGSFIXSGO-KTXJXPLISA-N

28 The contents of this page can freely be shared if cited as follows:
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).