Structure Database (LMSD)

Common Name
Ficulinic acid A
Systematic Name
2-heptyl-10-oxo-11E-nonadecenoic acid
Synonyms
LM ID
LMFA01060206
Formula
C26H48O3
Exact Mass
Calculate m/z
408.360345
Sum Composition
FA 26:2;O
Status
Curated
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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
MZFOIBHOHIMICN-RELWKKBWSA-N
InChi (Click to copy)
InChI=1S/C26H48O3/c1-3-5-7-9-10-14-18-22-25(27)23-19-15-11-13-17-21-24(26(28)29)20-16-12-8-6-4-2/h18,22,24H,3-17,19-21,23H2,1-2H3,(H,28,29)/b22-18+
SMILES (Click to copy)
C(C(CCCCCCC)CCCCCCCC(=O)/C=C/CCCCCCC)(=O)O

Other Databases

PubChem CID
6438484

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 476.81
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 8.26
Molar Refractivity 124.34

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Updated at
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