Structure Database (LMSD)

Common Name
Equisetolic acid
Systematic Name
Triacontanedioic acid
Synonyms
LM ID
LMFA01170042
Formula
Exact Mass
Calculate m/z
482.43351
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
JADFUOUIMWDTFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H58O4/c31-29(32)27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(33)34/h1-28H2,(H,31,32)(H,33,34)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Equisetum arvense (#3258)
Polypodiopsida (#241806)
Long-chain alpha-omega-dicarboxylic acids from spores of Equisetum spp.,
J. Chem. Soc. D,, 1969

Other Databases

LIPIDAT ID
6528
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 557.44
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 10.08
Molar Refractivity 144.55

Admin

Created at
-
Updated at
14th Feb 2021