O-sulfo-L-tyrosine
Basic information
- CAS
956-46-7- Standard SMILES
N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)O- InChIKey
CIQHWLTYGMYQQR-QMMMGPOBSA-N- Molecular formula
- C9H11NO6S
- Average molar mass
- 261.25 g/mol
- Monoisotopic mass
- 261.03070824
Overview
O(4')-sulfo-L-tyrosine is an O-sulfoamino acid that is L-tyrosine in which the phenolic hydrogen has been replaced by a sulfo group. It has a role as a human metabolite. It is a L-tyrosine derivative, an O-sulfoamino acid and an aryl sulfate. It is a conjugate acid of an O(4')-sulfo-L-tyrosinate(1-).
Names & identifiers
- Preferred name
- O-sulfo-L-tyrosine
- IUPAC
- (2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid
Names & synonyms
tyrosine O-sulfate956-46-7L-Tyrosine O-sulfateo-sulfo-l-tyrosineTyrosine sulfateL-Tyrosine, hydrogen sulfate (ester)29166358BFRefChem:928066SulfotyrosineL-Tyrosine, O-sulfo-(S)-2-Amino-3-(4-(sulfooxy)phenyl)propanoic acid(2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid
Show more names
o-sulfotyrosine(2S)-2-amino-3-[4-(sulfooxy)phenyl]propanoic acidH-Tyr(SO3H)-OHstarbld0030706TYROSINE, SULFATEO(4')-sulfo-L-tyrosineSCHEMBL245547TYROSINE O-SULFATE, L-
Database identifiers
- CAS
956-46-7- PubChem CID
- 514186
- ChEMBL
CHEMBL1236077- ChEBI
CHEBI:46215- UNII
- 29166358BF
- Nikkaji
- J630.338B
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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