Structure Database (LMSD)

Common Name
4-keto pentadecanoic acid
Systematic Name
4-oxo-pentadecanoic acid
Synonyms
LM ID
LMFA01060047
Formula
C15H28O3
Exact Mass
Calculate m/z
256.203845
Sum Composition
FA 15:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
PFJKZQUXOYQRNT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15(17)18/h2-13H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCCCC)C(=O)CCC(=O)O

Other Databases

CHEBI ID
138494
LIPIDBANK ID
DFA0431
PubChem CID
5282993

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 289.15
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.34
Molar Refractivity 73.72

Admin

Created at
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Updated at
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