Structure Database (LMSD)

Common Name
4-[5]-ladderane-butanoic acid
Systematic Name
4-[5]-ladderane-butanoic acid
Synonyms
LM ID
LMFA01140011
Status
Active
Exact Mass
Calculate m/z
246.16198
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)
ZDWWCRQXNJGGFF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H22O2/c17-11(18)3-1-2-7-6-10-12(7)16-14-9-5-4-8(9)13(14)15(10)16/h7-10,12-16H,1-6H2,(H,17,18)
SMILES (Click to copy)
C1C2C3C4C5CC(CCCC(=O)O)C5C4C3C2C1

References

Reference
Rattray JE et al,Arch Microbiol. 2008 Jul;190(1):51-66 (PubMed ID:18385981)
Comments
Submitted by Henry Boumann, Netherlands

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Candidatus Anammoxoglobus propionicus (#363279)
Candidatus Brocadiae (#2517206)
Ladderane lipid distribution in four genera of anammox bacteria.,
Arch Microbiol, 2008
Pubmed ID: 18385981

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 5
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 238.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.03
Molar Refractivity 66.75

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Updated at
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