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
C10H18O3
Exact Mass
Calculate m/z
186.125595
Sum Composition
FOH 10:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

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

CHEBI ID
180132
PubChem CID
5283272

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

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Created at
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Updated at
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