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:79885 - 12alpha-Hydroxy-5beta-pregnane-3,20-dione
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
12alpha-Hydroxy-5beta-pregnane-3,20-dione
ChEBI ID
CHEBI:79885
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
C21H32O3
Net Charge
0
Average Mass
332.47700
Monoisotopic Mass
332.23514
InChI
InChI=1S/C21H32O3/c1-
12(22)
16-
6-
7-
17-
15-
5-
4-
13-
10-
14(23)
8-
9-
20(13,2)
18(15)
11-
19(24)
21(16,17)
3/h13,15-
19,24H,4-
11H2,1-
3H3/t13-
,15+,16-
,17+,18+,19+,20+,21-
/m1/s1
InChIKey
WOUWWZYKGYDVMI-PHFNMVBRSA-N
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ChEBI Ontology
Outgoing
12alpha-Hydroxy-5beta-pregnane-3,20-dione (
CHEBI:79885
)
is a
3-oxo-5β-steroid (
CHEBI:1624
)
Manual Xref
Database
C15384
KEGG COMPOUND
View more database links
Last Modified
26 April 2017