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:792 - 17β-estradiol 3-sulfate 17-(β-
D
-glucosiduronic acid)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
17β-estradiol 3-sulfate 17-(β-
D
-glucosiduronic acid)
ChEBI ID
CHEBI:792
ChEBI ASCII Name
17beta-estradiol 3-sulfate 17-(beta-D-glucosiduronic acid)
Stars
This entity has been manually annotated by a third party.
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
C24H31O11S
Net Charge
0
Average Mass
528.571
Monoisotopic Mass
528.16653
InChI
InChI=1S/C24H32O11S/c1-
24-
9-
8-
14-
13-
5-
3-
12(35-
36(30,31)
32)
10-
11(13)
2-
4-
15(14)
16(24)
6-
7-
17(24)
33-
23-
20(27)
18(25)
19(26)
21(34-
23)
22(28)
29/h3,5,10,14-
21,23,25-
27H,2,4,6-
9H2,1H3,(H,28,29)
(H,30,31,32)
/t14-
,15-
,16+,17+,18+,19+,20-
,21+,23-
,24+/m1/s1
InChIKey
VRMSCBRLZUCJBX-QXYWQCSFSA-N
SMILES
C[C@]
12CC[C@H]
3[C@@H]
(CCc4cc(OS(O)
(=O)
=O)
ccc34)
[C@@H]
1CC[C@@H]
2O[C@@H]
1O[C@@H]
([C@@H]
(O)
[C@H]
(O)
[C@H]
1O)
C(O)
=O
ChEBI Ontology
Outgoing
17β-estradiol 3-sulfate 17-(β-
D
-glucosiduronic acid) (
CHEBI:792
)
has functional parent
17β-estradiol (
CHEBI:16469
)
17β-estradiol 3-sulfate 17-(β-
D
-glucosiduronic acid) (
CHEBI:792
)
is a
steroid glucosiduronic acid (
CHEBI:26763
)
17β-estradiol 3-sulfate 17-(β-
D
-glucosiduronic acid) (
CHEBI:792
)
is a
steroid sulfate (
CHEBI:16158
)
Synonyms
Sources
17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)
KEGG COMPOUND
Estradiol 17beta-glucuronide 3-sulfate
KEGG COMPOUND
Manual Xrefs
Databases
C11289
KEGG COMPOUND
HMDB0010358
HMDB
View more database links
Last Modified
28 July 2014