Structure Database (LMSD)

Common Name
Erucamide
Systematic Name
13Z-docosenamide
Synonyms
LM ID
LMFA08010028
Status
Active
Exact Mass
Calculate m/z
337.334464
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
UAUDZVJPLUQNMU-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C22H43NO/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,(H2,23,24)/b10-9-
SMILES (Click to copy)
O=C(CCCCCCCCCCC/C=C\CCCCCCCC)N

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Prymnesium parvum (#97485)
Identification of toxic fatty amides isolated from the harmful alga Prymnesium parvum carter.,
Harmful Algae, 2012

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 403.67
Topological Polar Surface Area 43.09
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.07
Molar Refractivity 107.11

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Created at
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Updated at
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