Structure Database (LMSD)

Common Name
10-hydroxypalmitic acid
Systematic Name
10-hydroxyhexadecanoic acid
Synonyms
LM ID
LMFA01050605
Formula
Exact Mass
Calculate m/z
272.235145
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Epicoprostanol found in adipocere from five human autopsies.,
Lipids, 1997
Pubmed ID: 9397400

String Representations

InChiKey (Click to copy)
QUFMVAWAOYDYFV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O3/c1-2-3-4-9-12-15(17)13-10-7-5-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCC(O)CCCCCC)(=O)O

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 309.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.81
Molar Refractivity 79.85

Admin

Created at
4th Dec 2023
Updated at
4th Dec 2023