Structure Database (LMSD)

Common Name
12-[5]-ladderane-dodecanoic acid
Systematic Name
12-[5]-ladderane-dodecanoic acid
Synonyms
LM ID
LMFA01140015
Formula
C24H38O2
Exact Mass
Calculate m/z
358.28718
Sum Composition
FA 24:5
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)
ZPDCFDULRXOVLT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H38O2/c25-19(26)11-9-7-5-3-1-2-4-6-8-10-15-14-18-20(15)24-22-17-13-12-16(17)21(22)23(18)24/h15-18,20-24H,1-14H2,(H,25,26)
SMILES (Click to copy)
C1C2C3C4C5CC(CCCCCCCCCCCC(=O)O)C5C4C3C2C1

Other Databases

CHEBI ID
187364
PubChem CID
42607296

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 5
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 376.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.15
Molar Refractivity 103.68

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Updated at
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