(+/-)12(13)-DiHOME

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Systematic / IUPAC Name: (9Z)-12,13-Dihydroxy-9-octadecenoic acid

ID: Reference6638

Other Names: 12,13-DHOA;
12,13-DHOME;
12,13-DiHOME;
Isoleukotoxin;
(9Z)-12,13-Dihydroxyoctadec-9-enoate ; more

Formula: C18H34O4

Class: Endogenous Metabolites

Spectral Data

(+/-)12(13)-DiHOME 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 ; Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 5
No. of Spectra 6578
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2020 7:42:16 AM
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Identificators

InChI InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-
InChI Key CQSLTKIXAJTQGA-FLIBITNWSA-N
Canonical SMILES CCCCCC(C(CC=CCCCCCCCC(=O)O)O)O
CAS 263399355
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Other Names 12,13-DHOA;
12,13-DHOME;
12,13-DiHOME;
Isoleukotoxin;
(9Z)-12,13-Dihydroxyoctadec-9-enoate;
(9Z)-12,13-Dihydroxyoctadec-9-enoic acid;
12,13-Dihydroxy-9Z-octadecenoate;
12,13-Dihydroxy-9Z-octadecenoic acid;
12,13-Dihydroxyoctadec-9(Z)-enoate;
12,13-Dihydroxyoctadec-9(Z)-enoic acid;
12,13-Hydroxyoctadec-9(Z)-enoate;
12,13-Hydroxyoctadec-9(Z)-enoic acid;
Isoleukotoxin diol

In Other Databases

PubChem 10236635
HMDb HMDB04705
KEGG C14829
ChemSpider 8412123
ChEBI CHEBI:72665