LBF18107OX02

Upper classes: LB LBF

IDs and Links
LipidBank	DFA8042
LipidMaps	LMFA01060069
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBF18107OX02

GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
Structural Information
Systematic Name	13-Hydroxy-10-Oxo-11-Octadecenoic Acid
Common Name
Symbol
Formula	C18H32O4
Exact Mass	312.23005951199997
Average Mass	312.44428
SMILES	CCCCCC(O)C=CC(=O)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 hydrogenation) Gardner_WH : m/e=328[M], 257[M-(CH2)4CH3], 225[257-CH3OH], 199[CO(CH2)8COOCH3], 167[199-CH3OH](standard peak), 157[(CH2)7COOCH3 or CH3(CH2)4CH(OH)-(CH2)2CO]
UV Spectra	l EtOH /max=226nm(e=9900Å }1100), l EtOH /max=275nm(e260Å }30) Gardner_WH
IR Spectra	Trans unsaturation(973cm-1), conjugated C=O(1617cm-1), OH(3460,1070cm-1) Gardner_WH
NMR Spectra	1H-NMR Gardner_WH : C9(2.56ppm), C11(6.28ppm), C12(6.80ppm), C13(4.29ppm)
Other Spectra
Chromatograms

Reported Metabolites, References
Biospecies ID Compound Name Reference Comment n.a. LBF18107OX02 See above. Gardner_HW 1975 n.a. LBF18107OX02 See above. Gardner_WH 1970