Structure Database (LMSD)

Common Name
Turpetholic acid A
Systematic Name
3,12-dihydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050184
Formula
Exact Mass
Calculate m/z
274.21441
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
FSZLBXAVPUVPDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O4/c1-2-9-13(16)10-7-5-3-4-6-8-11-14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CC(O)CCCCCCCCC(O)CCC)(=O)O

References

Other Databases

LIPIDAT ID
3101
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 300.58
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.68
Molar Refractivity 77.13

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Created at
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Updated at
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