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	2015-09-08 17:49:57 -0600
Update Date	2015-09-08 17:49:57 -0600
Secondary Accession Numbers	ECMDB24186
Identification
Name:	a sulfurated [sulfur carrier]
Description
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xad4ac0ec> Close
Synonyms:	a Sulphurated [sulphur carrier]
Chemical Formula:	C2H6
Weight:	Average: 30.069 Monoisotopic: 30.046950192
InChI Key:	OTMSDBZUPAUEDD-UHFFFAOYSA-N
InChI:	InChI=1S/C2H6/c1-2/h1-2H3
CAS number:	Not Available
IUPAC Name:	ethane
Traditional IUPAC Name:	ethane
SMILES:	CC
Chemical Taxonomy
Description	belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
Kingdom	Organic compounds
Super Class	Hydrocarbons
Class	Saturated hydrocarbons
Sub Class	Alkanes
Direct Parent	Alkanes
Alternative Parents	Not Available
Substituents	Acyclic alkane Alkane Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	alkane (CHEBI:42266 ) a small molecule (CPD-9312 )
Physical Properties
State:	Not Available
Charge:	0
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 72.6 g/L ALOGPS logP 1.44 ALOGPS logP 1.35 ChemAxon logS 0.38 ALOGPS Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 0 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 0 Ų ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 11 m³·mol⁻¹ ChemAxon Polarizability 4.46 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:	a sulfurated [sulfur carrier] + L-Alanine + L-Alanine > 8-Amino-7-oxononanoate + Coenzyme A + Carbon dioxide 8-Amino-7-oxononanoate + S-adenosyl-L-methionine > a sulfurated [sulfur carrier] + 7,8-Diaminononanoate + 7,8-Diaminononanoate Dethiobiotin + 2 S-adenosyl-L-methionine + 2 Hydrogen ion + a sulfurated [sulfur carrier] > Biotin +2 L-Methionine +2 5'-Deoxyadenosine
SMPDB Pathways:	Biotin metabolism PW000762
KEGG Pathways:	Biotin metabolism ec00780
EcoCyc Pathways:	Not Available
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive Not Available View in JSpectraViewer Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-001i-9000000000-f5cb73d9f3aa48d4be43 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-001i-9000000000-f5cb73d9f3aa48d4be43 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-001i-9000000000-f5cb73d9f3aa48d4be43 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-004i-9000000000-6a5dcb252ffd01ad3f35 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-004i-9000000000-6a5dcb252ffd01ad3f35 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-004i-9000000000-6a5dcb252ffd01ad3f35 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-001i-9000000000-d4327713f687465abdcb View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-001i-9000000000-d4327713f687465abdcb View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-001i-9000000000-d4327713f687465abdcb View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-004i-9000000000-7c140cff78fe028977b0 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-004i-9000000000-7c140cff78fe028977b0 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-004i-9000000000-7c140cff78fe028977b0 View in MoNA 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer
References
References:	Not Available
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 42266 HMDB ID HMDB0038209 Pubchem Compound ID 6324 Kegg ID Not Available ChemSpider ID 6084 Wikipedia ID Ethane BioCyc ID Not Available

Enzymes