MiMeDB: Showing metabocard for Cysteic acid (MMDBc0029697)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:37:59 UTC

Update Date

2024-10-17 07:20:20 UTC

Metabolite ID

MMDBc0029697

Metabolite Identification

Common Name

Cysteic acid

Description

Cysteic acid is an amino acid formed in the oxidation of cysteine; it is a precursor of taurine.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3-Sulfoalanine	ChEBI
beta-Sulfoalanine	ChEBI
Cysteine sulfonic acid	ChEBI
3-Sulphoalanine	Generator
b-Sulfoalanine	Generator
b-Sulphoalanine	Generator
beta-Sulphoalanine	Generator
Β-sulfoalanine	Generator
Β-sulphoalanine	Generator
Cysteine sulfonate	Generator
Cysteine sulphonate	Generator
Cysteine sulphonic acid	Generator
Cysteate	Generator
2-Amino-3-sulfopropanoate	HMDB
2-Amino-3-sulfopropanoic acid	HMDB
2-Amino-3-sulfopropionate	HMDB
2-Amino-3-sulfopropionic acid	HMDB
Cepteate	HMDB
Cepteic acid	HMDB
Cipteate	HMDB
Cipteic acid	HMDB
Cysteinate	HMDB
Cysteinesulfonate	HMDB
Cysteinesulfonic acid	HMDB
Cysteinic acid	HMDB
Cysterate	HMDB
Cysteric acid	HMDB
L-Cysteate	HMDB
L-Cysteic acid	HMDB
3 Sulfoalanine	HMDB
Acid, cysteic	HMDB
beta Sulfoalanine	HMDB

Molecular Formula

C₃H₇NO₅S

Average Mass

169.156

Monoisotopic Mass

169.004493029

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

498-40-8

SMILES

Not Available

InChI Identifier

InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)

InChI Key

XVOYSCVBGLVSOL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Alkanesulfonic acid
Sulfonyl
Organosulfonic acid
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Primary amine
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

non-proteinogenic alpha-amino acid (CHEBI:21260 )
amino sulfonic acid (CHEBI:21260 )
alanine derivative (CHEBI:21260 )
carboxyalkanesulfonic acid (CHEBI:21260 )
cysteine derivative (CHEBI:21260 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Mitochondria

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
MMDBp0191953	Aspartate aminotransferase, cytoplasmic	Enzyme	P17174	Homo sapiens
MMDBp0191954	Aspartate aminotransferase, mitochondrial	Enzyme	P00505	Homo sapiens
MMDBp0192341	Glutamate decarboxylase 2	Enzyme	Q05329	Homo sapiens
MMDBp0192342	Glutamate decarboxylase 1	Enzyme	Q99259	Homo sapiens
MMDBp0192554	Cysteine sulfinic acid decarboxylase	Enzyme	Q9Y600	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000038	2-Aminoacrylic acid	Cysteic acid	sulfotransferase family, cytosolic, 1A, phenol-preferring, member 3	VMH	3346220 6351723
MMDBr0000082	3-Sulfinoalanine	Cysteic acid	Not Available	VMH	30371894
MMDBr0001546	Oxoglutaric acid	3-Sulfopyruvic acid	glutamic-oxaloacetic transaminase 1, soluble	VMH; KEGG	30371894
MMDBr0001547	Oxoglutaric acid	3-Sulfopyruvic acid	glutamic-oxaloacetic transaminase 2, mitochondrial	VMH	3346220
MMDBr0001548	Cysteic acid	Taurine	Not Available	VMH; KEGG	30371894

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	207	Human feces; Human sputum; Human ; Human unknown; Human pleural fluid plaque; Human stool; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	334	Pig ; Human feces; Human sputum; Human ; Human subgingival plaque; Human saliva; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	95	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque	Metabolic reconstruction
Bacteria	Bacteroidetes	4	Human feces; Human ; Human stool	Metabolic reconstruction
Bacteria	Spirochaetes	2	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	15	Human feces; Human	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	2		Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

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

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

HMDB0002757

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023061

KNApSAcK ID

Not Available

Chemspider ID

23942

KEGG Compound ID

C00506

BioCyc ID

Not Available

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

21260

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Paroni R, De Vecchi E, Fermo I, Arcelloni C, Diomede L, Magni F, Bonini PA: Total urinary hydroxyproline determined with rapid and simple high-performance liquid chromatography. Clin Chem. 1992 Mar;38(3):407-11. [PubMed:1547560 ]
Sarwar G, Botting HG, Peace RW: Complete amino acid analysis in hydrolysates of foods and feces by liquid chromatography of precolumn phenylisothiocyanate derivatives. J Assoc Off Anal Chem. 1988 Nov-Dec;71(6):1172-5. [PubMed:3240976 ]
Jasin HE: Oxidative modification of inflammatory synovial fluid immunoglobulin G. Inflammation. 1993 Apr;17(2):167-81. doi: 10.1007/BF00916103. [PubMed:8387962 ]

Showing metabocard for Cysteic acid (MMDBc0029697)

MOL for #<Metabolite:0x00007fdb463a02b8>

3D MOL for #<Metabolite:0x00007fdb463a02b8>

3D SDF for #<Metabolite:0x00007fdb463a02b8>

3D-SDF for #<Metabolite:0x00007fdb463a02b8>

PDB for #<Metabolite:0x00007fdb463a02b8>

3D PDB for #<Metabolite:0x00007fdb463a02b8>

SMILES for #<Metabolite:0x00007fdb463a02b8>

INCHI for #<Metabolite:0x00007fdb463a02b8>

Structure for #<Metabolite:0x00007fdb463a02b8>

3D Structure for #<Metabolite:0x00007fdb463a02b8>