MiMeDB: Showing metabocard for dimethyltrisulfide (MMDBc0033467)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:49:51 UTC

Update Date

2022-08-31 22:36:16 UTC

MiMeDB ID

MMDBc0033467

Metabolite Identification

Common Name

dimethyltrisulfide

Description

Dimethyldisulfide is a volatile organic compound. Methyl disulfide is occasionally found as a volatile component of normal human breath and biofluids. Dimethyldisulfide is one of the representative volatile components found in oral malodor. Dimethyldisulfide concentrations in breath is a practical noninvasive way to assess recent exposure to sulfur compounds in sulfate pulp mills, and therefore it should be applicable to workplaces contaminated. (PMID: 5556886 , 14691119 , 11236158 , 8481097 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂H₆S₃

Average Molecular Weight

126.264

Monoisotopic Molecular Weight

125.963162262

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

3658-80-8

SMILES

Not Available

InChI Identifier

InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3

InChI Key

YWHLKYXPLRWGSE-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Saliva
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Related Health Condition	Evidence Type	Measured in Matrix	Reference
Crohn's disease	This associated disease is originally imported from HMDB metabolite HMDB0005879 concentration id 121819	Association	Human Feces	23867873	details
Irritable bowel syndrome	This associated disease is originally imported from HMDB metabolite HMDB0005879 concentration id 121820	Association	Human Feces	23867873	details
Ulcerative colitis	This associated disease is originally imported from HMDB metabolite HMDB0005879 concentration id 121821	Association	Human Feces	23867873	details

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Fungi	Ascomycota	1	Human Feces	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Animal	Milk	Bos taurus	FooDB	31437929	details
Plant	Stem	Brassica oleracea var. gongylodes	FooDB	31437929	details
Plant		Allium sativum	FooDB	31437929	details
Plant		Agaricus bisporus	FooDB	31437929	details
Plant	Fruit	Cucumis sativus	FooDB	31437929	details
Plant			FooDB	31437929	details
Plant		Allium sativum	FooDB	31437929	details
Plant	Fruit	Rubus	FooDB	31437929	details
Plant	Bean	Phaseolus vulgaris	FooDB	31437929	details
Plant	Bulb	Allium sativum l. var. sativum	FooDB	31437929	details
Plant		Allium	FooDB	31437929	details
Plant	Fruit	Lentinus edodes	FooDB	31437929	details
Plant	Oil	Brassica oleracea var. botrytis	FooDB	31437929	details
Plant		Allium cepa	FooDB	31437929	details
Plant		Allium	FooDB	31437929	details
Plant		Allium cepa	FooDB	31437929	details
Plant		Brassica oleracea var. botrytis	FooDB	31437929	details
Plant		Allium fistulosum	FooDB	31437929	details
Plant		Pleurotus ostreatus	FooDB	31437929	details
Plant	Steam volatile oil	Brassica oleracea var. italica	FooDB	31437929	details
Plant		Brassica oleracea var. italica	FooDB	31437929	details
Plant	Bulb	Allium cepa	FooDB	31437929	details
Plant	Leaves	Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929	details
Plant	Leaves	Brassica oleracea var. capitata	FooDB	31437929	details
Plant	Fruit	Rubus	FooDB	31437929	details
Plant	Fruit	Psidium guajava	FooDB	31437929	details
Plant	Oil	Allium cepa	FooDB	31437929	details
Plant	Steam volatile oil	Brassica oleracea var. capitata	FooDB	31437929	details
Plant	Oil	Allium cepa	FooDB	31437929	details
Plant	Oil	Allium cepa	FooDB	31437929	details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human	Detected but not Quantified				Adult (>18 years old)	Both	Campylobacter jejuni infection	HMDB	17314143	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Clostridium difficile infection	HMDB	17314143	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	17314143	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Ulcerative Colitis	HMDB	17314143	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	19167006	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	20055983	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206	details
Human	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	21494609	details
Human	Detected but not Quantified				Children (1-13 years old)	Not Specified	Treated celiac disease	HMDB	21970810	details
Human	Detected but not Quantified				Children (1-13 years old)	Not Specified	Normal	HMDB	21970810	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	22284503	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Breast cancer	HMDB	22284503	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Nonalcoholic fatty liver disease (NAFLD)	HMDB	23454028	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	23454028	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24023812	details
Human	Detected but not Quantified				Children (1-13 years old)	Both	Autism	HMDB	24130822	details
Human	Detected but not Quantified				Children (1-13 years old)	Both	Pervasive Developmental Disorder Not Otherwise Specified	HMDB	24130822	details
Human	Detected but not Quantified				Children (1-13 years old)	Both	Normal	HMDB	24130822	details
Human	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	24421258	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Crohns disease	HMDB	26806034	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Ulcerative colitis	HMDB	26806034	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	26806034	details
Human	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	Zhang, S., Liu, L., Steffen, D., Ye, T., Raftery, D. (2012) Metabolic profiling of gender: Headspace-SPME/GC-MS and 1H NMR analysis of urine. Metabolomics 8:323-334.	details
Human	Detected and Quantified	0.00121	0.000616	0.00924	Not Specified	Not Specified	Crohns disease	HMDB	23867873	details
Human	Detected and Quantified	0.000605	0.000117	0.00437	Not Specified	Not Specified	Irritable bowel syndrome	HMDB	23867873	details
Human	Detected and Quantified	0.000754	0.000287	0.00152	Not Specified	Not Specified	Ulcerative colitis	HMDB	23867873	details
Human Urine	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	22284503	details
Human Urine	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24023812	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	24421258	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	17314143	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	19167006	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	20055983	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	21280206	details
Human Feces	Detected but not Quantified				Children (1-13 years old)	Not Specified	Normal	HMDB	21970810	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	23454028	details
Human Feces	Detected but not Quantified				Children (1-13 years old)	Both	Normal	HMDB	24130822	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	26806034	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	21494609	details
Human	Detected but not Quantified							HMDB		details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Zlatkis A, Liebich HM: Profile of volatile metabolites in human urine. Clin Chem. 1971 Jul;17(7):592-4. [PubMed:5556886 ]
Jappinen P, Kangas J, Silakoski L, Savolainen H: Volatile metabolites in occupational exposure to organic sulfur compounds. Arch Toxicol. 1993;67(2):104-6. doi: 10.1007/BF01973679. [PubMed:8481097 ]
Volozhin AI, Petrovich IuA, Filatova ES, Barer GM, Fomina OL, Kreit KhN, Volozhina SA, Dieva SV: [Volatile compounds in air and oral saliva in healthy people, and in periodontitis and gingivitis patients]. Stomatologiia (Mosk). 2001;80(1):9-12. [PubMed:11236158 ]
Greenman J, Duffield J, Spencer P, Rosenberg M, Corry D, Saad S, Lenton P, Majerus G, Nachnani S, El-Maaytah M: Study on the organoleptic intensity scale for measuring oral malodor. J Dent Res. 2004 Jan;83(1):81-5. doi: 10.1177/154405910408300116. [PubMed:14691119 ]

Showing metabocard for dimethyltrisulfide (MMDBc0033467)

MOL for #<Metabolite:0x000055b76e152a90>

3D MOL for #<Metabolite:0x000055b76e152a90>

3D SDF for #<Metabolite:0x000055b76e152a90>

3D-SDF for #<Metabolite:0x000055b76e152a90>

PDB for #<Metabolite:0x000055b76e152a90>

3D PDB for #<Metabolite:0x000055b76e152a90>

SMILES for #<Metabolite:0x000055b76e152a90>

INCHI for #<Metabolite:0x000055b76e152a90>

Structure for #<Metabolite:0x000055b76e152a90>

3D Structure for #<Metabolite:0x000055b76e152a90>