Structure Database (LMSD)

Common Name
Anteisotridecanoic acid
Systematic Name
10-methyl-dodecanoic acid
Synonyms
  • (+)-10-methyl lauric acid
LM ID
LMFA01020005
Formula
C13H26O2
Exact Mass
Calculate m/z
214.19328
Sum Composition
FA 13:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

Biological Context

10-methyl Lauric acid is a methyl branched-chain fatty acid.1,2 It has been found in the Gram-positive bacteria B. acetylicum, as well as the mandibular gland secretions of carpenter ant species, including C. herculeanus, C. ligniperda, and C. pennsylvanicus.

This information has been provided by Cayman Chemical

References

1. Brand, J.M., Fales, H.M., Sokoloski, E.A., et al. Identification of mellein in the mandibular gland secretions of carpenter ants. Life Sci. 13(3), 201-211 (1973).
2. Bernard, K.A., Bellefeuille, M., and Ewan, E.P. Cellular fatty acid composition as an adjunct to the identification of asporogenous, aerobic gram-positive rods. J. Clin. Microbiol. 29(1), 83-89 (1991).

String Representations

InChiKey (Click to copy)
YETWOCQNUTWSQA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-12(2)10-8-6-4-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
SMILES (Click to copy)
C(C)(CC)CCCCCCCCC(=O)O

Other Databases

CHEBI ID
84872
LIPIDBANK ID
DFA0230
PubChem CID
3014565
PlantFA ID
10211
Cayman ID
36504

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 64.03

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Created at
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Updated at
20th Oct 2021