MiMeDB: Showing metabocard for Cadmium (MMDBc0030311)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:02:52 UTC

Update Date

2024-10-07 03:38:49 UTC

Metabolite ID

MMDBc0030311

Metabolite Identification

Common Name

Cadmium

Description

Cadmium is a chemical element with the symbol Cd and atomic number 48. Cadmium usually has an oxidation state of +2 in most of its compounds, but it also exists in the +1 state. (Wikipedia ) Cadmium interacts with many E. coli enzymes in its 2+ cation form. For example, Cd2+ is an activator of threonine dehydrogenase, and an inhibitor of alpha-galactosidase. (EcoCyc)

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
48cd	ChEBI
Cadmio	ChEBI
Cd	ChEBI
Kadmium	ChEBI

Molecular Formula

Average Mass

112.411

Monoisotopic Mass

113.903358121

IUPAC Name

cadmium

Traditional Name

cadmium

CAS Registry Number

7440-43-9

SMILES

[Cd]

InChI Identifier

InChI=1S/Cd

InChI Key

BDOSMKKIYDKNTQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous transition metal

Molecular Framework

Not Available

External Descriptors

zinc group element atom (CHEBI:22977 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-0.07	ChemAxon
logS	1.08	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900000000-f8713a66369086ec0ad5	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-0900000000-f8713a66369086ec0ad5	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-0900000000-f8713a66369086ec0ad5	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-c6c3e3d7e513c880c7f4	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0900000000-c6c3e3d7e513c880c7f4	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-0900000000-c6c3e3d7e513c880c7f4	2015-09-15	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	8	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human stool; Pig ; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	162	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human stool; Pig ; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Actinobacteria	12	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Human nasopharyngeal swab	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	106	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Human nasopharyngeal swab	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	116	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human subgingival plaque; Human supragingival plaque; Human urine	Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	340	Human feces; Human ; Pig ; Human subgingival plaque; Human saliva; Human pleural fluid plaque; Human stool; Cattle	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Firmicutes	24	Human feces; Human ; Pig ; Human subgingival plaque; Human saliva; Human pleural fluid plaque; Human stool; Cattle	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	19	Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	2	Human feces	Metabolic reconstruction

Exposure Sources

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Water	Not Available	U.S. Environmental Protection Agency	CompTox
Soil	Not Available	U.S. Environmental Protection Agency	CompTox

Source Type	Source Sub-type	Source Name	Data Source	Reference
Animal	Milk	Cow	FooDB	25588978
Food	Not Available	German beer	FooDB	Beer in Health and Disease Prevention. Edited by Victor R. Preedy. ISBN 978-0-12-373891-2
Plant	Not Available	Broccoli	FooDB	Manually Annotated
Plant	Not Available	Carrot	FooDB	Manually Annotated
Plant	Not Available	Cucumber	FooDB	Manually Annotated
Plant	Not Available	Dill	FooDB	Manually Annotated
Plant	Not Available	Eggplant	FooDB	Manually Annotated
Plant	Not Available	Garden onion	FooDB	Manually Annotated
Plant	Not Available	Garden tomato	FooDB	Manually Annotated
Plant	Not Available	Garlic	FooDB	Manually Annotated
Plant	Not Available	Green zucchini	FooDB	Manually Annotated
Plant	Not Available	Parsnip	FooDB	Manually Annotated
Plant	Not Available	Pepper	FooDB	Manually Annotated
Plant	Not Available	Potato	FooDB	Manually Annotated
Plant	Not Available	Red beetroot	FooDB	Manually Annotated
Plant	Not Available	Romaine lettuce	FooDB	Manually Annotated
Plant	Not Available	Spinach	FooDB	Manually Annotated
Plant	Not Available	Sunburst squash (pattypan squash)	FooDB	Manually Annotated
Plant	Not Available	Turnip	FooDB	Manually Annotated
Plant	Not Available	White cabbage	FooDB	Manually Annotated
Plant	Not Available	Winter squash	FooDB	Manually Annotated
Plant	Bulb	Garden onion	FooDB	DUKE
Plant	Fruit	American cranberry	FooDB	DUKE
Plant	Fruit	Apple	FooDB	DUKE
Plant	Fruit	Bilberry	FooDB	DUKE
Plant	Fruit	Blackcurrant	FooDB	DUKE
Plant	Fruit	Cloudberry	FooDB	DUKE
Plant	Fruit	Common bean	FooDB	DUKE
Plant	Fruit	Common grape	FooDB	DUKE
Plant	Fruit	Cucumber	FooDB	DUKE
Plant	Fruit	Eggplant	FooDB	DUKE
Plant	Fruit	European plum	FooDB	DUKE
Plant	Fruit	Garden tomato (var.)	FooDB	DUKE
Plant	Fruit	Gooseberry	FooDB	DUKE
Plant	Fruit	Muskmelon	FooDB	DUKE
Plant	Fruit	Peach	FooDB	DUKE
Plant	Fruit	Pear	FooDB	DUKE
Plant	Fruit	Pepper	FooDB	DUKE
Plant	Fruit	Redcurrant	FooDB	DUKE
Plant	Fruit	Sweet orange	FooDB	DUKE
Plant	Leaves	Cabbage	FooDB	DUKE
Plant	Leaves	Endive	FooDB	DUKE
Plant	Leaves	Lettuce	FooDB	DUKE
Plant	Leaves	Spinach	FooDB	DUKE
Plant	Leaves	White cabbage	FooDB	DUKE
Plant	Plant	Allspice	FooDB	DUKE
Plant	Plant	Dill	FooDB	DUKE
Plant	Plant	Parsley	FooDB	DUKE
Plant	Root	Carrot	FooDB	DUKE
Plant	Root	Horseradish	FooDB	DUKE
Plant	Root	Parsnip	FooDB	DUKE
Plant	Root	Radish	FooDB	DUKE
Plant	Root	Red beetroot	FooDB	DUKE
Plant	Root	Wild carrot	FooDB	DUKE
Plant	Root	Wild celery	FooDB	DUKE
Plant	Seed	Almond	FooDB	DUKE
Plant	Seed	Black walnut	FooDB	DUKE
Plant	Seed	Brazil nut	FooDB	DUKE
Plant	Seed	Butternut	FooDB	DUKE
Plant	Seed	Cashew nut	FooDB	DUKE
Plant	Seed	Coconut	FooDB	DUKE
Plant	Seed	Common bean	FooDB	DUKE
Plant	Seed	Common hazelnut	FooDB	DUKE
Plant	Seed	Common pea	FooDB	DUKE
Plant	Seed	Date	FooDB	DUKE
Plant	Seed	Gram bean	FooDB	DUKE
Plant	Seed	Mung bean	FooDB	DUKE
Plant	Seed	Peanut	FooDB	DUKE
Plant	Seed	Pistachio	FooDB	DUKE
Plant	Shoot	Asparagus	FooDB	DUKE
Plant	Tuber	Potato	FooDB	DUKE

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB003766

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C01413

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cadmium

METLIN ID

Not Available

PubChem Compound

23973

PDB ID

Not Available

ChEBI ID

22977

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]

Showing metabocard for Cadmium (MMDBc0030311)

MOL for #<Metabolite:0x0000564a5c9dcea0>

3D MOL for #<Metabolite:0x0000564a5c9dcea0>

3D SDF for #<Metabolite:0x0000564a5c9dcea0>

3D-SDF for #<Metabolite:0x0000564a5c9dcea0>

PDB for #<Metabolite:0x0000564a5c9dcea0>

3D PDB for #<Metabolite:0x0000564a5c9dcea0>

SMILES for #<Metabolite:0x0000564a5c9dcea0>

INCHI for #<Metabolite:0x0000564a5c9dcea0>

Structure for #<Metabolite:0x0000564a5c9dcea0>

3D Structure for #<Metabolite:0x0000564a5c9dcea0>