MiMeDB: Showing metabocard for O-Sulfo-L-tyrosine (MMDBc0000837)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 23:04:54 UTC

Update Date

2022-08-31 06:17:05 UTC

MiMeDB ID

MMDBc0000837

Metabolite Identification

Common Name

O-Sulfo-L-tyrosine

Description

O-Sulfotyrosine belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from a reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. O-Sulfotyrosine has been identified as a potential plasma biomarker of reduced kidney function in early chronic kidney disease (CKD), end stage renal disease (ESRD), and hemodialytic clearance (PMID: 31048706 ). Human plasma levels of O-sulfotyrosine were reported to be influenced by genetic variants in the gene ARSA which codes for the enzyme arylsulfatase A (PMID: 24816252 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₁NO₆S

Average Molecular Weight

261.252

Monoisotopic Molecular Weight

261.030707779

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1

InChI Key

CIQHWLTYGMYQQR-QMMMGPOBSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Placenta

Tissue Locations

Placenta

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	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Phylum	Total species	Hosts and Body Sites	Microbial Links
Proteobacteria	1	Human Feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Firmicutes	2		Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteroidetes	1	Human Feces	Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Placenta	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Blood	Detected but not Quantified	Adult (>18 years old)	Not Specified	Normal	HMDB	31048706	details
Human Blood	Detected but not Quantified	Adult (40 years old)	Both	Normal	HMDB	26317986	details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Shin SY, Fauman EB, Petersen AK, Krumsiek J, Santos R, Huang J, Arnold M, Erte I, Forgetta V, Yang TP, Walter K, Menni C, Chen L, Vasquez L, Valdes AM, Hyde CL, Wang V, Ziemek D, Roberts P, Xi L, Grundberg E, Waldenberger M, Richards JB, Mohney RP, Milburn MV, John SL, Trimmer J, Theis FJ, Overington JP, Suhre K, Brosnan MJ, Gieger C, Kastenmuller G, Spector TD, Soranzo N: An atlas of genetic influences on human blood metabolites. Nat Genet. 2014 Jun;46(6):543-550. doi: 10.1038/ng.2982. Epub 2014 May 11. [PubMed:24816252 ]
Velenosi TJ, Thomson BKA, Tonial NC, RaoPeters AAE, Mio MA, Lajoie GA, Garg AX, House AA, Urquhart BL: Untargeted metabolomics reveals N, N, N-trimethyl-L-alanyl-L-proline betaine (TMAP) as a novel biomarker of kidney function. Sci Rep. 2019 May 2;9(1):6831. doi: 10.1038/s41598-019-42992-3. [PubMed:31048706 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for O-Sulfo-L-tyrosine (MMDBc0000837)

MOL for #<Metabolite:0x00007f09201027e8>

3D MOL for #<Metabolite:0x00007f09201027e8>

3D SDF for #<Metabolite:0x00007f09201027e8>

3D-SDF for #<Metabolite:0x00007f09201027e8>

PDB for #<Metabolite:0x00007f09201027e8>

3D PDB for #<Metabolite:0x00007f09201027e8>

SMILES for #<Metabolite:0x00007f09201027e8>

INCHI for #<Metabolite:0x00007f09201027e8>

Structure for #<Metabolite:0x00007f09201027e8>

3D Structure for #<Metabolite:0x00007f09201027e8>