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:8389 - estrone sodium sulfate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
estrone sodium sulfate
ChEBI ID
CHEBI:8389
Stars
This entity has been manually annotated by the ChEBI Team.
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
C18H21O5S.Na
Net Charge
0
Average Mass
372.41211
Monoisotopic Mass
372.10074
InChI
InChI=1S/C18H22O5S.Na/c1-
18-
9-
8-
14-
13-
5-
3-
12(23-
24(20,21)
22)
10-
11(13)
2-
4-
15(14)
16(18)
6-
7-
17(18)
19;/h3,5,10,14-
16H,2,4,6-
9H2,1H3,(H,20,21,22)
;/q;+1/p-
1/t14-
,15-
,16+,18+;/m1./s1
InChIKey
VUCAHVBMSFIGAI-ZFINNJDLSA-M
SMILES
[Na+].[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21
ChEBI Ontology
Outgoing
estrone sodium sulfate (
CHEBI:8389
)
has functional parent
estrone (
CHEBI:17263
)
estrone sodium sulfate (
CHEBI:8389
)
is a
organic sodium salt (
CHEBI:38700
)
estrone sodium sulfate (
CHEBI:8389
)
is a
steroid sulfate (
CHEBI:16158
)
IUPAC Name
sodium 17-oxoestra-1(10),2,4-trien-3-yl sulfate
Synonyms
Sources
17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate
ChemIDplus
Estrogenic substances (conjugated)
ChemIDplus
Estrone sodium sulfate
ChemIDplus
Estrone sulfate sodium
ChEBI
Estrone-3-sulfate sodium salt
ChemIDplus
Oestrone-3-sulphate sodium salt
ChemIDplus
Sodium estrone 3-sulfate
ChemIDplus
Brand Names
Sources
Conestoral
DrugBank
Evex
DrugBank
Hyhorin
DrugBank
Morestin
DrugBank
Premarin
DrugBank
Manual Xrefs
Databases
D00312
KEGG DRUG
DB00286
DrugBank
View more database links
Registry Numbers
Types
Sources
3835414
Beilstein Registry Number
Beilstein
438-67-5
CAS Registry Number
ChemIDplus
Last Modified
01 October 2008