Nitrogenase
PubChem CID: 25199882
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| Compound Synonyms | nitrogenase |
|---|---|
| Topological Polar Surface Area | 148.0 |
| Hydrogen Bond Donor Count | 12.0 |
| Heavy Atom Count | 32.0 |
| Description | Nitrogenase can be found in soy bean, which makes nitrogenase a potential biomarker for the consumption of this food product. Nitrogenases are enzymes (EC 1.18.6.1EC 1.19.6.1) that are produced by certain bacteria, such as cyanobacteria (blue-green algae). These enzymes are responsible for the reduction of nitrogen (N2) to ammonia (NH3). Nitrogenases are the only family of enzymes known to catalyze this reaction, which is a key step in the process of nitrogen fixation. Nitrogen fixation is required for all forms of life, with nitrogen being essential for the biosynthesis of molecules (nucleotides, amino acids) that create plants, animals and other organisms . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | azanide, 3-carboxy-3-hydroxyhexanedioate, iron, molybdenum, sulfanide |
| Nih Violation | True |
| Class | Carboxylic acids and derivatives |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Tricarboxylic acids and derivatives |
| Molecular Formula | C7H19Fe7MoNO7S9-12 |
| Inchi Key | OUNCJAISYHCMSR-UHFFFAOYSA-C |
| Rotatable Bond Count | 4.0 |
| Synonyms | Molybdoferredoxin, 2-Hydroxybutane-1,2,4-tricarboxylate heptairon molybdenum sulphane azanide octasulphanide, 2-Hydroxybutane-1,2,4-tricarboxylic acid heptairon molybdenum sulfane azanide octasulfanide, 2-Hydroxybutane-1,2,4-tricarboxylic acid heptairon molybdenum sulphane azanide octasulphanide |
| Compound Name | Nitrogenase |
| Kingdom | Organic compounds |
| Exact Mass | 1006.31 |
| Formal Charge | -12.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 1006.31 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 1004.7 |
| Covalent Unit Count | 19.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C7H10O7.7Fe.Mo.H2N.9H2S/c8-4(9)1-2-7(14,6(12)13)3-5(10)11, , , , , , , , , , , , , , , , , , /h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13), , , , , , , , , 10*1H2/q, , , , , , , , , -1, , , , , , , , , /p-11 |
| Smiles | C(CC(CC(=O)[O-])(C(=O)O)O)C(=O)[O-].[NH2-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[SH-].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Mo] |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tricarboxylic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all