Structure Database (LMSD)
Common Name
1,3S-dihydroxy-8E-decen-5-one
Systematic Name
1,3S-dihydroxy-8E-decen-5-one
Synonyms
- 1,3S-dihydroxy-deca-8E-en-5-one
- (3S,8E)-1,3-dihydroxy-8-decen-5-one
LM ID
LMFA05000018
Formula
Exact Mass
Calculate m/z
186.125595
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 1,3S-dihydroxy-8E-decen-5-one
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
SHHVNLZCXWAKNG-PBKGFPTLSA-N
InChi (Click to copy)
InChI=1S/C10H18O3/c1-2-3-4-5-9(12)8-10(13)6-7-11/h2-3,10-11,13H,4-8H2,1H3/b3-2+/t10-/m0/s1
SMILES (Click to copy)
C/C=C/CCC(=O)C[C@@H](O)CCO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
202.65
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
1.62
Molar Refractivity
52.38
Admin
Created at
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Updated at
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