Showing metabocard for Cyanide (BMDB0002084)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
Record Information
Version1.0
Creation Date2016-09-30 22:50:59 UTC
Update Date2020-05-20 23:09:43 UTC
BMDB IDBMDB0002084
Secondary Accession Numbers
  • BMDB02084
Metabolite Identification
Common NameCyanide
DescriptionCyanide, also known as chuck norrisium or cyanide ion, 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. Cyanide is possibly neutral. Cyanide exists in all living species, ranging from bacteria to humans. Cyanide is a potentially toxic compound.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Carbon nitride ionHMDB
Chuck norrisiumHMDB
Cyanide ionHMDB
Cyanide(1-) ionHMDB
CyanoHMDB
CyanureHMDB
IsocyanideHMDB
PrussiateHMDB
Chemical FormulaCHN
Average Molecular Weight27.0253
Monoisotopic Molecular Weight27.010899037
IUPAC Namemethylidyneazanidyl
Traditional Namemethylidyneazanidyl
CAS Registry Number57-12-5
SMILES
C#[N-]
InChI Identifier
InChI=1S/CHN/c1-2/h1H/q-1
InChI KeyATBDVLSINHAXGY-UHFFFAOYSA-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.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassOrganic cyanides
Direct ParentNitriles
Alternative Parents
Substituents
  • Carbonitrile
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic anion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
  • Mitochondria
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.74ALOGPS
logS-1.1ALOGPS
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area23.79 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.01 m³·mol⁻¹ChemAxon
Polarizability2.31 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular Locations
  • Cytoplasm
  • Mitochondria
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0002084
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB006696
KNApSAcK IDC00007569
Chemspider ID5755
KEGG Compound IDC00177
BioCyc IDNot Available
BiGG ID34146
Wikipedia LinkCyanide
METLIN IDNot Available
PubChem Compound5975
PDB IDNot Available
ChEBI ID17514
References
Synthesis ReferenceFuruki, 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
General ReferencesNot Available

Enzymes

Enzyme Details
1. Thiosulfate sulfurtransferase
General function:
Inorganic ion transport and metabolism
Specific function:
Together with MRPL18, acts as a mitochondrial import factor for the cytosolic 5S rRNA. Only the nascent unfolded cytoplasmic form is able to bind to the 5S rRNA (By similarity). Formation of iron-sulfur complexes and cyanide detoxification. Binds molecular oxygen and sulfur.
Gene Name:
TST
Uniprot ID:
P00586
Molecular weight:
33296.0
Reactions
3-Mercaptopyruvic acid + Cyanide → Pyruvic acid + Thiocyanatedetails