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
Active

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
Aromatic Rings
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