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Bovine Metabolome Database



Showing metabocard for Carbon disulfide (BMDB36574)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2015-02-12 11:04:49
Update Date 2015-02-12 11:04:49
Accession Number BMDB36574
Common Name Carbon disulfide
Description Carbon disulfide is found in kohlrabi. Obsolete fumigant against insects in stored grain and potatoes.
Synonyms Not Available
Chemical IUPAC Name methanedithione
Chemical Formula CS2
Chemical Structure Structure
Chemical Taxonomy
Kingdom
Super Class
Class
Sub Class
Family
Species
Biofunction
Application
Source
Average Molecular Weight 76.141
Monoisotopic Molecular Weight 75.944141
Isomeric SMILES S=C=S
Canonical SMILES Not Available
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID Not Available
PubChem Compound Not Available
PubChem Substance Not Available
ChEBI ID Not Available
CAS Registry Number 75-15-0
InChI Identifier InChI=1S/CS2/c2-1-3
Synthesis Reference Not Available
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1.30e+00 g/l Calculated using ALOGPS
Physiological Charge 0
State Not Available
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity 1.945582059 Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Not Available
SDF File Not Available
PDB File Not Available
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Not Available
Not Available
Predicted 13C NMR Spectrum Not Available
Not Available
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal)
Biofluid Breast_Milk
Value 0.000231 uM
Age NA
Sex NA
Condition Normal
Comments Raw milk with 1% fat
References
Biofluid Breast_Milk
Value 0.000299 uM
Age NA
Sex NA
Condition Normal
Comments Raw milk with 3.25% fat
References
Biofluid Breast_Milk
Value 0.000763 uM
Age NA
Sex NA
Condition Normal
Comments UHT processed milk with 1% fat
References
Biofluid Breast_Milk
Value 0.000797 uM
Age NA
Sex NA
Condition Normal
Comments UHT processed milk with 3.25% fat
References
Biofluid Breast_Milk
Value 0.000221 uM
Age NA
Sex NA
Condition Normal
Comments Pasteurized milk of brand A with 0% fat
References
Biofluid Breast_Milk
Value 0.000241 uM
Age NA
Sex NA
Condition Normal
Comments Pasteurized milk of brand A with 1% fat
References
Biofluid Breast_Milk
Value 0.000244 uM
Age NA
Sex NA
Condition Normal
Comments Pasteurized milk of brand A with 2% fat
References
Biofluid Breast_Milk
Value 0.000325 uM
Age NA
Sex NA
Condition Normal
Comments Pasteurized milk of brand A with 3.25% fat
References
Biofluid Breast_Milk
Value 0.000437 uM
Age NA
Sex NA
Condition Normal
Comments Pasteurized milk of brand B with 0% fat
References
Biofluid Breast_Milk
Value 0.000545 uM
Age NA
Sex NA
Condition Normal
Comments Pasteurized milk of brand B with 1% fat
References
Biofluid Breast_Milk
Value 0.000423 uM
Age NA
Sex NA
Condition Normal
Comments Pasteurized milk of brand B with 2% fat
References
Biofluid Breast_Milk
Value 0.000444 uM
Age NA
Sex NA
Condition Normal
Comments Pasteurized milk of brand B with 3.25% fat
References
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References Not Available