Structure Database (LMSD)
Common Name
2-Hydroxyestrone
Systematic Name
2,3-dihydroxy-estra-1,3,5(10)-trien-17-one
Synonyms
LM ID
LMST02010032
Formula
Exact Mass
Calculate m/z
286.156895
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-Hydroxyestrone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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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.
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String Representations
InChiKey (Click to copy)
SWINWPBPEKHUOD-JPVZDGGYSA-N
InChi (Click to copy)
InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
SMILES (Click to copy)
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1C=C(C(O)=CC2=1)O)=O
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
4
Aromatic Rings
1
Rotatable Bonds
0
Van der Waals Molecular Volume
275.43
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.52
Molar Refractivity
79.40
Admin
Created at
-
Updated at
9th Jun 2022