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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 |