Structure & Deep Data of Arachidonic acid (C20H32O2)
Identification of Arachidonic acid Chemical Compound
Chemical Formula | C20H32O2 |
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Molecular Weight | 304.46688 g/mol |
IUPAC Name | (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid |
SMILES String | CCCCCC=CCC=CCC=CCC=CCCCC(O)=O |
InChI | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- |
InChIKey | YZXBAPSDXZZRGB-DOFZRALJSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The arachidonic acid molecule contains a total of 53 bond(s). There are 21 non-H bond(s), 5 multiple bond(s), 14 rotatable bond(s), 5 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of arachidonic acid are given below:
The 2D chemical structure image of arachidonic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of arachidonic acid 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 arachidonic acid 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 arachidonic acid. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of arachidonic acid is provided here.
The arachidonic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the arachidonic acid molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of arachidonic acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- CAS #: 64-17-5
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Additional Information for Identifying Arachidonic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of arachidonic acid
The SMILES string of arachidonic acid is CCCCCC=CCC=CCC=CCC=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 arachidonic acid.
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Structure Data File (SDF/MOL File) of arachidonic acid
The structure data file (SDF/MOL File) of arachidonic acid is available for download in the SDF page of arachidonic acid, which provides the information about the atoms, bonds, connectivity and coordinates of arachidonic acid. The arachidonic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of arachidonic acid
The molecular formula of arachidonic acid is available in chemical formula page of arachidonic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of arachidonic acid
The molecular weight of arachidonic acid is available in molecular weight page of arachidonic acid, 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.
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Other names (synonyms) or registry numbers of arachidonic acid
The arachidonic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of arachidonic acid including the various registry numbers, if available:
- cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid
- cis-Delta(5,8,11,14)-eicosatetraenoic acid
- all-cis-5,8,11,14-eicosatetraenoic acid
- Arachidonsaeure
- (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid
- LMFA01030001
- 5Z,8Z,11Z,14Z-icosatetraenoic acid
- 5Z,8Z,11Z,14Z-eicosatetraenoic acid
- <i>cis,cis,cis,cis</i>-5,8,11,14-Eicosatetraenoic Acid
- 5,8,11,14-Eicosatetraenoic acid, labeled with carbon-14, (all-Z)-
- (14C)Arachidonic acid
- 93444-49-6
- cis-5,8,11,14-Eicosatetraenoic acid
- (5Z,8Z,11Z,14Z)-Icosatetraenoic acid
- ACD
Arachidonic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of arachidonic acid? |
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C20H32O2 |
How many atoms and what are the elements included the arachidonic acid molecule? |
54 atom(s) - 32 Hydrogen atom(s), 20 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the arachidonic acid structure? |
53 bond(s) - 21 non-H bond(s), 5 multiple bond(s), 14 rotatable bond(s), 5 double bond(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s) |
What’s the arachidonic acid’s molecular weight? |
304.46688 g/mol |
What’s the SMILES code of arachidonic acid? |
CCCCCC=CCC=CCC=CCC=CCCCC(O)=O |
What’s the InChI string of arachidonic acid? |
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- |
What’s the InChIKey code of arachidonic acid? |
YZXBAPSDXZZRGB-DOFZRALJSA-N |
4716
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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).