LIPID MAPS

Structure Database (LMSD)

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Systematic Name

4,6-dimethylundeca-5E-enoic acid

Synonyms

LM ID

LMFA01020454

Formula

C₁₃H₂₄O₂

Exact Mass

Calculate m/z

212.17763

Sum Composition

FA 13:1

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Protobothrops mangshanensis (#242058)

Lepidosauria (#8504)

The scent gland composition of the Mangshan pit viper, <i>Protobothrops mangshanensis</i>.,
Beilstein J Org Chem, 2024

Pubmed ID: 39445221

DOI: 10.3762/bjoc.20.222

String Representations

InChiKey (Click to copy)

FPVXOLZRNGEMNO-ZHACJKMWSA-N

InChi (Click to copy)

InChI=1S/C13H24O2/c1-4-5-6-7-11(2)10-12(3)8-9-13(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)/b11-10+

SMILES (Click to copy)

C(CCC(C)/C=C(\C)/CCCCC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 15

Rings

Aromatic Rings

Rotatable Bonds 8

Van der Waals Molecular Volume 245.76

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 4.01

Molar Refractivity 63.93

Admin

Created at

11th Dec 2024

Updated at