Structure Database (LMSD)

Common Name
10-[3]-ladderane-decanoic acid
Systematic Name
10-[3]-ladderane-decanoic acid
Synonyms
LM ID
LMFA01140012
Formula
C22H36O2
Exact Mass
Calculate m/z
332.27153
Sum Composition
FA 22:4
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)
LNZVFVDXQMOFRR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H36O2/c23-20(24)9-7-5-3-1-2-4-6-8-15-10-11-18-19(14-15)22-17-13-12-16(17)21(18)22/h15-19,21-22H,1-14H2,(H,23,24)
SMILES (Click to copy)
C1CC2C3C4CCC4C3C2CC1CCCCCCCCCC(=O)O

Other Databases

CHEBI ID
187931
PubChem CID
42607293

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 354.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.90
Molar Refractivity 96.70

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Updated at
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