LBF18109HO05

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Fatty acid (脂肪酸)

Glycerolipid (グリセロ脂質)

Sphingolipid (スフィンゴ脂質)

Journals (雑誌一覧)

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Upper classes: LB LBF

IDs and Links
LipidBank	DFA8028
LipidMaps	LMFA01050130
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18109HO05

11,12,13-Trihydroxy-9-octadecenoic acid
Structural Information
Systematic Name	11,12,13-Trihydroxy-9-octadecenoic acid
Common Name	11,12,13-Trihydroxy-9-octadecenoic acid
Symbol
Formula	C18H34O5
Exact Mass	330.240624198
Average Mass	330.45956
SMILES	CCCCCC(O)C(O)C(O)C=CCCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source	Oxidative products of 13-hydroperoxylinoleate Gardner_HW et al..
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) Gardner_HW et al.: m/e=285[SMTO=CH-CH=CH-(CH2)7COOCH3], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-(CH2)4CH3], 387[M-173]
UV Spectra
IR Spectra	Methyl ester(CS2): cis olefin(758cm-1), bonded OH(3400-3240cm-1) Gardner_HW et al.
NMR Spectra	1H-NMR(methyl ester): C8(2.04-2.11ppm), C9, 10(5.53-5.68ppm), C11(4.23-4.65ppm), C12(3.56-3.74ppm), C13(3.26-3.48ppm) Gardner_HW et al.
Other Spectra	ORD analysis Gardner_HW et al.
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18109HO05 See above. Gardner_HW et al. 1984