LIPID MAPS

Structure Database (LMSD)

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Common Name

Pantheric acid G

Systematic Name

2-methylidenehexanedioic acid

Synonyms

2-Methyleneadipic acid

LM ID

LMFA01170161

Formula

C₇H₁₀O₄

Exact Mass

Calculate m/z

158.05791

Sum Composition

FA 7:2;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus sp. (#5065)

Eurotiomycetes (#147545)

A New Unsaturated Fatty Acid from Marine-Derived Fungus Aspergillus sp. SCAU150,
Chem Nat Compd, 2023

DOI: 10.1007/s10600-023-03960-6

String Representations

InChiKey (Click to copy)

GQXRTXAQSDUAEY-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C7H10O4/c1-5(7(10)11)3-2-4-6(8)9/h1-4H2,(H,8,9)(H,10,11)

SMILES (Click to copy)

C(C(=C)CCCC(=O)O)(=O)O

Other Databases

PubChem CID

17900745

Calculated Physicochemical Properties

Heavy Atoms 11

Rings

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 156.90

Topological Polar Surface Area 74.60

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 0.88

Molar Refractivity 38.26

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Created at

9th May 2023

Updated at