Structure Database (LMSD)

H H H OH OH HO
Common Name
Estriol
Systematic Name
estra-1,3,5(10)-triene-3,16,17-triol
Synonyms
LM ID
LMST02010003
Formula
C18H24O3
Exact Mass
Calculate m/z
288.172545
Sum Composition
ST 18:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C18 steroids (estrogens) and derivatives [ST0201]

String Representations

InChiKey (Click to copy)
PROQIPRRNZUXQM-ZXXIGWHRSA-N
InChi (Click to copy)
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
SMILES (Click to copy)
C1C2[C@@]3([H])CC[C@]4(C)[C@@H](O)[C@H](O)C[C@@]4([H])[C@]3([H])CCC=2C=C(O)C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Estrogenic Steroids. Ill. The Crystal and Molecular Structure of Estriol,
Acta Cryst B, 1969

Other Databases

Wikipedia
Estriol
KEGG ID
C05141
HMDB ID
HMDB0000153
CHEBI ID
27974
LIPIDBANK ID
SST0014
PubChem CID
5756
Cayman ID
10006484
PDB ID
ESL
GuidePharm ID
2821

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 1
Rotatable Bonds 0
Van der Waals Molecular Volume 278.07
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 3.15
Molar Refractivity 81.14

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
3rd Aug 2022