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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 |
