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:87333 - 17β-hydroxy-5β-estran-3-one
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
17β-hydroxy-5β-estran-3-one
ChEBI ID
CHEBI:87333
ChEBI ASCII Name
17beta-hydroxy-5beta-estran-3-one
Definition
A C18 steroid with 5β-configuration formed from nandrolone by reduction across the C4-C5 double bond.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
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
C18H28O2
Net Charge
0
Average Mass
276.41370
Monoisotopic Mass
276.20893
InChI
InChI=1S/C18H28O2/c1-
18-
9-
8-
14-
13-
5-
3-
12(19)
10-
11(13)
2-
4-
15(14)
16(18)
6-
7-
17(18)
20/h11,13-
17,20H,2-
10H2,1H3/t11-
,13+,14-
,15-
,16+,17+,18+/m1/s1
InChIKey
RHVBIEJVJWNXBU-XZVKZCCLSA-N
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
17β-hydroxy-5β-estran-3-one (
CHEBI:87333
)
has parent hydride
5β-estrane (
CHEBI:20670
)
17β-hydroxy-5β-estran-3-one (
CHEBI:87333
)
has role
human metabolite (
CHEBI:77746
)
17β-hydroxy-5β-estran-3-one (
CHEBI:87333
)
is a
17β-hydroxy steroid (
CHEBI:35343
)
17β-hydroxy-5β-estran-3-one (
CHEBI:87333
)
is a
3-oxo-5β-steroid (
CHEBI:1624
)
IUPAC Name
17β-hydroxy-5β-estran-3-one
Synonyms
Sources
(5β,17β)-17-hydroxyestran-3-one
IUPAC
17β-hydroxy-19-nor-5β-androstan-3-one
ChEBI
17β-hydroxy-5β-estran-3-one
UniProt
Registry Number
Type
Source
3204928
Reaxys Registry Number
Reaxys
Citation
Type
Source
21255593
PubMed citation
SUBMITTER
Last Modified
26 April 2017