Structure Database (LMSD)

Common Name
6-bromo-tricosa-5E,9Z-dienoic acid
Systematic Name
6-bromo-tricosa-5E,9Z-dienoic acid
Synonyms
LM ID
LMFA01090101
Formula
C23H41BrO2
Exact Mass
Calculate m/z
428.228991
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Callyspongia siphonella (#469330)
Demospongiae (#6042)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
RVIBARJQFCSUKD-RPKIDODFSA-N
InChi (Click to copy)
InChI=1S/C23H41BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)20-17-18-21-23(25)26/h14-15,20H,2-13,16-19,21H2,1H3,(H,25,26)/b15-14-,22-20+
SMILES (Click to copy)
C(CCC/C=C(/Br)\CC/C=C\CCCCCCCCCCCCC)(=O)O

Other Databases

CHEBI ID
184694
PubChem CID
56935824

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 435.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.56
Molar Refractivity 117.95

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Updated at
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