Structure Database (LMSD)

Common Name
7(S)-methoxy-dodedec-4E-enoic acid
Systematic Name
7(S)-methoxy-dodedec-4E-enoic acid
Synonyms
LM ID
LMFA01080033
Status
Active
Exact Mass
Calculate m/z
228.172545
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)
KBMNVOKQUUZFOO-PZBABLGHSA-N
InChi (Click to copy)
InChI=1S/C13H24O3/c1-3-4-6-9-12(16-2)10-7-5-8-11-13(14)15/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,14,15)/b7-5+/t12-/m0/s1
SMILES (Click to copy)
C(CC)CC[C@H](OC)C/C=C/CCC(O)=O

References

Reference
New advances in the chemistry of methoxylated lipids. N. M. Carballeira. Progress in Lipid Research. Volume 41, Issue 6, November 2002, Pages 437-456.

https://www.sciencedirect.com/science/article/pii/S016378270200005X?via%3Dihub%3Dihub

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lyngbya majuscula (#158786)
New advances in the chemistry of methoxylated lipids.,
Prog Lipid Res, 2002
Pubmed ID: 12169299

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 254.55
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.68
Molar Refractivity 66.08

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Updated at
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