Erucic acid

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Systematic / IUPAC Name: (Z)-Docos-13-enoic acid

ID: Reference2716

Other Names: δ13-cis-Docosenoic acid;
(Z)-13-Docosenoic acid;
(13Z)-13-Docosenoic acid;
(13Z)Docos-13-enoic acid;
cis-δ(13)-Docosenoic acid ; more

Formula: C22H42O2

Class: Extractables/Leachables Industrial Chemicals Textile Chemicals/Auxiliary/Dyes Endogenous Metabolites Personal Care Products/Cosmetics

Spectral Data

Erucic 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 Lumos with ETD LBP ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 248
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 9/29/2017 11:20:34 AM
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Identificators

InChI InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-
InChI Key DPUOLQHDNGRHBS-KTKRTIGZSA-N
Canonical SMILES CCCCCCCCC=CCCCCCCCCCCCC(=O)O
CAS 112867
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Other Names δ13-cis-Docosenoic acid;
(Z)-13-Docosenoic acid;
(13Z)-13-Docosenoic acid;
(13Z)Docos-13-enoic acid;
cis-δ(13)-Docosenoic acid;
cis-13-Docosenoic acid;
cis-Erucic acid;
cis-Eruic acid;
13Z-Docosenoic acid;
13-Docosenoate;
13-Docosenoic acid, (Z)-;
13-Docosenoic acid, (13Z)-;
Brassidic acid;
Prifrac 2990

In Other Databases

ChEBI CHEBI:28792
Wikipedia Erucic_acid
ChemSpider 4444561
ChemIDPlus 000112867; 014488858
HMDb HMDB02068
KEGG C08316
PubChem 5281116