Structure Database (LMSD)

Common Name
12-[3]-ladderane-dodecanoic acid
Systematic Name
12-[3]-ladderane-dodecanoic acid
Synonyms
LM ID
LMFA01140014
Formula
C24H40O2
Exact Mass
Calculate m/z
360.30283
Sum Composition
FA 24:4
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)
CKZGRGZXFFNECL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H40O2/c25-22(26)11-9-7-5-3-1-2-4-6-8-10-17-12-13-20-21(16-17)24-19-15-14-18(19)23(20)24/h17-21,23-24H,1-16H2,(H,25,26)
SMILES (Click to copy)
C1CC2C3C4CCC4C3C2CC1CCCCCCCCCCCC(=O)O

Other Databases

CHEBI ID
187927
PubChem CID
42607295

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 389.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.68
Molar Refractivity 105.94

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Updated at
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