Structure Database (LMSD)

Common Name
4-[5]-ladderane-butanoic acid
Systematic Name
4-[5]-ladderane-butanoic acid
Synonyms
LM ID
LMFA01140011
Formula
C16H22O2
Exact Mass
Calculate m/z
246.16198
Sum Composition
FA 16:5
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)
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

Other Databases

CHEBI ID
187402
PubChem CID
42607292

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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