(+/-)9,10-dihydroxy-12Z-octadecenoic acid

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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

Spectral Data

(+/-)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.

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Available MS Data

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
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Identificators

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
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Other Names Leukotoxin diol;
(9S,10R,12Z)-9,10-Dihydroxy-12-octadecenoic acid;
(+/-)9,10-dihydroxy-12Z-octadecenoic acid

In Other Databases

PubChem 25320856
ChemSpider 52082942