Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:27905 - phenyl hydrogen sulfate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
phenyl hydrogen sulfate
ChEBI ID
CHEBI:27905
Definition
An aryl sulfate that is phenol bearing an
O
-sulfo substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:8072, CHEBI:25967
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H6O4S
Net Charge
0
Average Mass
174.17544
Monoisotopic Mass
173.99868
InChI
InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChIKey
CTYRPMDGLDAWRQ-UHFFFAOYSA-N
SMILES
OS(=O)(=O)Oc1ccccc1
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
phenyl hydrogen sulfate (
CHEBI:27905
)
has functional parent
phenol (
CHEBI:15882
)
phenyl hydrogen sulfate (
CHEBI:27905
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
phenyl hydrogen sulfate (
CHEBI:27905
)
is a
aryl sulfate (
CHEBI:37919
)
phenyl hydrogen sulfate (
CHEBI:27905
)
is conjugate acid of
phenyl sulfate (
CHEBI:85289
)
Incoming
phenyl sulfate (
CHEBI:85289
)
is conjugate base of
phenyl hydrogen sulfate (
CHEBI:27905
)
IUPAC Name
phenyl hydrogen sulfate
Synonyms
Sources
Phenol sulfate
KEGG COMPOUND
Phenol sulfate
KEGG COMPOUND
phenylsulfate
ChemIDplus
Manual Xrefs
Databases
C02180
KEGG COMPOUND
HMDB0060015
HMDB
View more database links
Registry Numbers
Types
Sources
2047161
Beilstein Registry Number
Beilstein
2047161
Reaxys Registry Number
Reaxys
937-34-8
CAS Registry Number
KEGG COMPOUND
937-34-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12119069
PubMed citation
Europe PMC
22770225
PubMed citation
Europe PMC
22827565
PubMed citation
Europe PMC
25041144
PubMed citation
Europe PMC
Last Modified
23 October 2015