Structure Database (LMSD)

O OH
Common Name
10-[5]-ladderane-decanoic acid
Systematic Name
10-[5]-ladderane-decanoic acid
Synonyms
LM ID
LMFA01140013
Formula
C22H34O2
Exact Mass
Calculate m/z
330.25588
Sum Composition
FA 22:5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
LXZYGXNGSMYQAG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H34O2/c23-17(24)9-7-5-3-1-2-4-6-8-13-12-16-18(13)22-20-15-11-10-14(15)19(20)21(16)22/h13-16,18-22H,1-12H2,(H,23,24)
SMILES (Click to copy)
C1C2C3C4C5CC(CCCCCCCCCC(=O)O)C5C4C3C2C1

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

Other Databases

CHEBI ID
188223
PubChem CID
42607294

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 5
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 342.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.37
Molar Refractivity 94.45

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Updated at
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