Structure Database (LMSD)

Common Name
10,16-dihydroxy-palmitic acid
Systematic Name
10,16-dihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050341
Status
Active
Exact Mass
Calculate m/z
288.23006
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VJZBXAQGWLMYMS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCC(O)CCCCCCO)(=O)O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 317.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 81.75

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Created at
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Updated at
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