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:62849 - 16-estratetraen-3-ol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
16-estratetraen-3-ol
ChEBI ID
CHEBI:62849
Definition
A 3-hydroxy steroid that is obtained by formal dehydration at the 17-position of estradiol.
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
C18H22O
Net Charge
0
Average Mass
254.36670
Monoisotopic Mass
254.16707
InChI
InChI=1S/C18H22O/c1-
18-
9-
2-
3-
17(18)
16-
6-
4-
12-
11-
13(19)
5-
7-
14(12)
15(16)
8-
10-
18/h2,5,7,9,11,15-
17,19H,3-
4,6,8,10H2,1H3/t15-
,16-
,17+,18+/m1/s1
InChIKey
CRMOMCHYBNOFIV-BDXSIMOUSA-N
SMILES
[H][C@]12CC[C@]3(C)C=CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21
ChEBI Ontology
Outgoing
16-estratetraen-3-ol (
CHEBI:62849
)
has parent hydride
androstane (
CHEBI:35509
)
16-estratetraen-3-ol (
CHEBI:62849
)
is a
3-hydroxy steroid (
CHEBI:36834
)
IUPAC Name
estra-1,3,5(10),16-tetraen-3-ol
Synonym
Source
oestra-1,3,5(10),16-tetraen-3-ol
ChEBI
Registry Numbers
Types
Sources
1150-90-9
CAS Registry Number
ChemIDplus
3208540
Reaxys Registry Number
Reaxys
Citation
Type
Source
11812141
PubMed citation
Europe PMC
Last Modified
02 September 2011