Systematic / IUPAC Name: (Z,9S,10R)-9,10-Dihydroxyoctadec-12-enoic acid
ID: Reference9799
Other Names:
Leukotoxin diol;
(9S,10R,12Z)-9,10-Dihydroxy-12-octadecenoic acid;
(+/-)9,10-dihydroxy-12Z-octadecenoic acid
Formula: C18H34O4
Class: Endogenous Metabolites
(+/-)9,10-dihydroxy-12Z-octadecenoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion with FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 1222 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/25/2020 6:33:52 AM |
InChI | InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7-/t16-,17+/m1/s1 |
InChI Key | XEBKSQSGNGRGDW-XKJZPFPASA-N |
Canonical SMILES | CCCCCC=CCC(C(CCCCCCCC(=O)O)O)O |
CAS | 263399344 |
Splash | |
Other Names |
Leukotoxin diol; (9S,10R,12Z)-9,10-Dihydroxy-12-octadecenoic acid; (+/-)9,10-dihydroxy-12Z-octadecenoic acid |