Structure Database (LMSD)

Common Name
4-[3]-ladderane-butanoic acid
Systematic Name
4-[3]-ladderane-butanoic acid
Synonyms
LM ID
LMFA01140010
Formula
C16H24O2
Exact Mass
Calculate m/z
248.17763
Sum Composition
FA 16:4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

References

Comments
Submitted by Henry Boumann, Netherlands

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
WWHSTYPFQBWANZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H24O2/c17-14(18)3-1-2-9-4-5-12-13(8-9)16-11-7-6-10(11)15(12)16/h9-13,15-16H,1-8H2,(H,17,18)
SMILES (Click to copy)
C1C2C3C4CCC4C3C2CC(CCCC(=O)O)C1

Other Databases

CHEBI ID
196492
PubChem CID
42607291

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 250.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.56
Molar Refractivity 69.00

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Updated at
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