LBF18109HO04

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8027
LipidMaps	LMFA01050129
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18109HO04

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	12,13-Dihydroxy-9-Octadecenoic Acid
Common Name
Symbol
Formula	C18H34O4
Exact Mass	314.24570957599997
Average Mass	314.46016
SMILES	CCCCCC(O)C(O)CC=CCCCCCCCC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	GC-EI-MS(after methanolysis and trimethylsilylation) StreckertGet al. Sessa_DJ et al.: m/e=457[M-CH3], 441[M-OCH3], 382[M-HOTMS], 299[M-173], 275[SMTO=CH-CH(OTMS)-(CH2)4CH3], 185[275-HOTMS], 173[SMTO=CH-( CH2)4CH3],GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation) StreckertGet al.
UV Spectra
IR Spectra	Methyl ester Sessa_DJ et al.
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18109HO04 See above. Sessa_DJ et al. 1977 n.a. LBF18109HO04 See above. Streckert_G et al. 1975