Structure & Deep Data of Melanin (C18H10N2O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Melanin molecule contains a total of 38 bond(s). There are 28 non-H bond(s), 20 multiple bond(s), 6 double bond(s), 14 aromatic bond(s), 2 five-membered ring(s), 3 six-membered ring(s), 4 nine-membered ring(s), 2 ten-membered ring(s), 2 eleven-membered ring(s), 1 twelve-membered ring(s), 2 ketone(s) (aliphatic), 2 ketone(s) (aromatic), and 2 Pyrrole(s). Images of the chemical structure of Melanin are given below:

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

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Additional Information for Identifying Melanin Molecule

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

  The SMILES string of Melanin is CC1=c2[nH]cc3c4C(=O)C(=O)C(=c5[nH]cc(c(C(=O)C1=O)c23)c45)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Melanin.

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

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

• Chemical formula of Melanin

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

• Molecular weight of Melanin

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

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

  • 6,14-DIMETHYL-4,12-DIAZAPENTACYCLO[8.6.1.1(2),?.0(1)(3),(1)?.0?,(1)?]OCTADECA-1(17),2,5,9(18),10,13-HEXAENE-7,8,15,16-TETRONE
  • HMDB04068
  • GTPL5415
  • Melanin from Sepia officinalis
  • 8049-97-6
  • 6,14-dimethyl-4,12-diazapentacyclo[8.6.1.1;{2,5}.0;{13,17}.0;{9,18}]octadeca-1(17),2,5,9(18),10,13-hexaene-7,8,15,16-tetrone
  • Melanin

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Melanin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Melanin?
C18H10N2O4
How many atoms and what are the elements included the Melanin molecule?
34 atom(s) - 10 Hydrogen atom(s), 18 Carbon atom(s), 2 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Melanin structure?
38 bond(s) - 28 non-H bond(s), 20 multiple bond(s), 6 double bond(s), 14 aromatic bond(s), 2 five-membered ring(s), 3 six-membered ring(s), 4 nine-membered ring(s), 2 ten-membered ring(s), 2 eleven-membered ring(s), 1 twelve-membered ring(s), 2 ketone(s) (aliphatic), 2 ketone(s) (aromatic), and 2 Pyrrole(s)
What’s the Melanin’s molecular weight?
318.283 g/mol
What’s the SMILES code of Melanin?
CC1=c2[nH]cc3c4C(=O)C(=O)C(=c5[nH]cc(c(C(=O)C1=O)c23)c45)C
What’s the InChI string of Melanin?
InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3
What’s the InChIKey code of Melanin?
XUMBMVFBXHLACL-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).