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Erucic acid

CAT: 1410-M19744-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M19744-01Size:50 mg
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Description
Increased levels of erucic acid (22:1n9) have been found in the red blood cell membranes of autistic subjects with developmental regression.
CAS Number
112-86-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
338.57
Molecular Formula
C22H42O2
Notes
Research use only, not for human use.
Receptor
Human Endogenous Metabolite

Chemical Information

Erucic Acid

Erucic acid is a docosenoic acid having a cis- double bond at C-13. It is found particularly in brassicas - it is a major component of mustard and rapeseed oils and is produced by broccoli, Brussels sprouts, kale, and wallflowers. It is a conjugate acid of an erucate.

CAS Number112-86-7
PubChem CID5281116
IUPAC Name(Z)-docos-13-enoic acid
Molecular FormulaC22H42O2
Molecular Weight338.6
XLogP8.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Heavy Atom Count24
Formal Charge0
Complexity284
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
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-
InChIKey
DPUOLQHDNGRHBS-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of Erucic Acid
CAS: 112-86-7
CID: 5281116
Formula: C22H42O2
MW: 338.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.6
XLogP38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Exact Mass338.318480578
Monoisotopic Mass338.318480578
Topological Polar Surface Area37.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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