LIPID MAPS

Structure Database (LMSD)

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Systematic Name

4,6-dimethyldeca-5E-enoic acid

Synonyms

LM ID

LMFA01020453

Formula

C₁₂H₂₂O₂

Exact Mass

Calculate m/z

198.16198

Sum Composition

FA 12:1

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

String Representations

InChiKey (Click to copy)

YVLINXSOIKTHIB-MDZDMXLPSA-N

InChi (Click to copy)

InChI=1S/C12H22O2/c1-4-5-6-10(2)9-11(3)7-8-12(13)14/h9,11H,4-8H2,1-3H3,(H,13,14)/b10-9+

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 14

Rings

Aromatic Rings

Rotatable Bonds 7

Van der Waals Molecular Volume 228.46

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 3.62

Molar Refractivity 59.32

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Created at

11th Dec 2024

Updated at