Structure Database (LMSD)
Common Name
Ceriporic acid A
Systematic Name
1-heptadecene-2,3R-dicarboxylic acid
Synonyms
- (R)-3-tetradecylitaconic acid
LM ID
LMFA01170126
Formula
Exact Mass
Calculate m/z
326.24571
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ceriporic acid A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CJCOOGIIQHVIQI-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h17H,2-15H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
SMILES (Click to copy)
C(C(=C)[C@H](C(O)=O)CCCCCCCCCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Gelatoporia subvermispora
(#42742)
Agaricomycetes
(#155619)
Absolute configuration of ceriporic acids, the iron redox-silencing metabolites produced by a selective lignin-degrading fungus, Ceriporiopsis subvermispora.,
Chem Phys Lipids, 2009
Chem Phys Lipids, 2009
Pubmed ID:
19477313
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
364.50
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.42
Molar Refractivity
93.60
Admin
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Updated at
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