Docosanoic acid

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Systematic / IUPAC Name: Docosanoic acid

ID: Reference9848

Other Names: Glycon B-70;
1-Docosanoate;
1-Docosanoic acid;
Behenic acid;
Behensaeure ; more

Formula: C22H44O2

Class: Endogenous Metabolites

Spectral Data

Docosanoic 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 258
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/6/2020 10:49:34 AM
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Identificators

InChI InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChI Key UKMSUNONTOPOIO-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)O
CAS 112856
Splash
Other Names Glycon B-70;
1-Docosanoate;
1-Docosanoic acid;
Behenic acid;
Behensaeure;
Docosanic acid;
Docosansaeure;
Docosoic acid;
Dokosansaeure;
Edenor C 22-85R;
Hydrofol 2022-55;
Hydrofol acid 560;
Hystrene 5522;
Hystrene 9022;
n-Docosanoate;
n-Docosanoic acid;
Prifac 2987;
Prifrac 2989

In Other Databases

KEGG C08281
WebBook 2314382632
HMDb HMDB0000944
ChemIDPlus 000112856
ChEBI CHEBI:28941
PubChem 8215
ChEMBL CHEMBL1173474
Wikipedia Behenic acid
ChemSpider 7923