Structure Database (LMSD)

Common Name
2-methoxy-5Z-hexadecenoic acid
Systematic Name
2-methoxy-5Z-hexadecenoic acid
Synonyms
LM ID
LMFA01080001
Status
Active
Exact Mass
Calculate m/z
284.235145
Formula
Abbrev


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)
IZQFBIOUXQEERU-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h12-13,16H,3-11,14-15H2,1-2H3,(H,18,19)/b13-12-
SMILES (Click to copy)
OC(C(OC)CC/C=C\CCCCCCCCCC)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tethya (#34493)
Demospongiae (#6042)
Two novel naturally occurring alpha-methoxy acids from the phospholipids of two Caribbean sponges.,
Lipids, 1992
Pubmed ID: 1608309

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 323.75
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.24
Molar Refractivity 84.55

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Created at
-
Updated at
14th Jun 2021