Structure Database (LMSD)

Common Name
2-Methylhexacosane
Systematic Name
2-Methylhexacosane
Synonyms
LM ID
LMFA11000345
Formula
C27H56
Exact Mass
Calculate m/z
380.438201
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]
Hydrocarbons [FA11]

Biological Context

2-Methylhexacosane is a saturated hydrocarbon and an insect pheromone.1,2 It has been found in the cuticle of M. dasystomus females, but not males, where it contributes to the mating behavior of males, as well as in D. melanogaster females where it modulates aggression of males towards females. 2-methylhexacosane has also been found in yellow jacket (V. vulgaris) trail extracts.3

This information has been provided by Cayman Chemical

References

1. Spikes, A.E., Pashen, M.A., Millar, J.G., et al. First contact pheromone identified for a longhorned beetle (Coleoptera: Cerambycidae) in the subfamily Prioninae. J. Chem. Ecol. 36(9), 943-954 (2010).
2. Fernández, d.l.P., Chan, Y.-B., Yew, J.Y., et al. Pheromonal and behavioral cues trigger male-to-female aggression in Drosophila. PLoS Biol. 8(11), e1000541 (2010).
3. Steinmetz, I., Schmolz, E., and Ruther, J. Cuticular lipids as trail pheromone in a social wasp. Proc. Biol. Sci. 270(1513), 385-391 (2003).

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
BEBPORIYFVRVCP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H56/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3/h27H,4-26H2,1-3H3
SMILES (Click to copy)
CC(C)CCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0032661
PubChem CID
150931
Cayman ID
9003585

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 475.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.63
Molar Refractivity 126.70

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Updated at
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