Structural search and advanced query search is temporarily unavailable. We are working to fix this issue. Thank you for your support and patience.

Record Information
Version	2.0
Creation Date	2012-05-31 13:55:31 -0600
Update Date	2015-09-17 15:41:13 -0600
Secondary Accession Numbers	ECMDB02084
Identification
Name:	Cyanide
Description	A cyanide is any chemical compound that contains the cyano group (CN). The metabolism of cyanide in bacteria involves a dioxygenase enzyme that converted cyanide directly to ammonia, without the formation of cyanate.
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xab137ae4> Close
Synonyms:	Carbon nitride ion Chuck Norrisium CN- Cyanide Cyanide ion Cyanide(1-) ion Cyano Cyanure Isocyanide Prussiate Prussiic acid
Chemical Formula:	CHN
Weight:	Average: 27.0253 Monoisotopic: 27.010899037
InChI Key:	ATBDVLSINHAXGY-UHFFFAOYSA-N
InChI:	InChI=1S/CHN/c1-2/h1H/q-1
CAS number:	57-12-5
IUPAC Name:	methylidyneazanidyl
Traditional IUPAC Name:	methylidyneazanidyl
SMILES:	C#[N-]
Chemical Taxonomy
Description	belongs to the class of organic compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
Kingdom	Organic compounds
Super Class	Organic nitrogen compounds
Class	Organonitrogen compounds
Sub Class	Organic cyanides
Direct Parent	Nitriles
Alternative Parents	Organopnictogen compounds Hydrocarbon derivatives Organic anions
Substituents	Carbonitrile Organopnictogen compound Hydrocarbon derivative Organic anion Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	Not Available
Physical Properties
State:	Solid
Charge:	-1
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 4 g/L ALOGPS logP -0.74 ALOGPS logS -1.1 ALOGPS Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 0 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 23.79 Ų ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 7.01 m³·mol⁻¹ ChemAxon Polarizability 2.31 ų ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	Hydrogen cyanide + 3-Mercaptopyruvic acid + Cyanide <> Hydrogen ion + Pyruvic acid + Thiocyanate Thiosulfate + Cyanide <> Sulfite + Thiocyanate Cyanide + Thiosulfate + Cyanide + Thiosulfate > Thiocyanate + Sulfite + Hydrogen ion + Thiocyanate + Sulfite Thiosulfate + Cyanide <> Sulfite + Thiocyanate Thiosulfate + Cyanide <> Sulfite + Thiocyanate
SMPDB Pathways:	Sulfur metabolism PW000922 sulfur metabolism (butanesulfonate) PW000923 sulfur metabolism (ethanesulfonate) PW000925 sulfur metabolism (isethionate) PW000926 sulfur metabolism (methanesulfonate) PW000927 sulfur metabolism (propanesulfonate) PW000924
KEGG Pathways:	Cyanoamino acid metabolism ec00460 Cysteine and methionine metabolism ec00270 Metabolic pathways eco01100 Microbial metabolism in diverse environments ec01120 Sulfur metabolism ec00920
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Not Available
References
References:	Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510 Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
Synthesis Reference:	Furuki, Masakazu; Moriguchi, Yuzo; Akakabe, Tethuro; Kitamura, Hiroyuki. Cyanide production with excess sludge incineration. Hyogo-kenritsu Kogai Kenkyusho Kenkyu Hokoku (1974), 6 31-5.
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 17514 HMDB ID HMDB02084 Pubchem Compound ID 5975 Kegg ID C00177 ChemSpider ID 5755 Wikipedia Cyanide BioCyc ID CPD-13584 EcoCyc ID CPD-13584

Enzymes