Structure Database (LMSD)

Common Name
Corticrocin
Systematic Name
2E,4E,6E,8E,10E,12E-tetradecahexaenedioic acid
Synonyms
LM ID
LMFA01031041
Formula
C14H14O4
Exact Mass
Calculate m/z
246.08921
Sum Composition
FA 14:7;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
PXPBPRNNNVMUEY-CZBFJCMTSA-N
InChi (Click to copy)
InChI=1S/C14H14O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H,(H,15,16)(H,17,18)/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
SMILES (Click to copy)
C(/C=C/C=C/C=C/C=C/C=C/C=C/C(O)=O)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Corticium (#39180)
Agaricomycetes (#155619)
Corticrocin, a mycorrhiza pigment.,
Nature, 1947
Pubmed ID: 20261771

Other Databases

CHEBI ID
174273
PubChem CID
12304001
PlantFA ID
10569

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 264.8
Topological Polar Surface Area 74.6
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 2.49
Molar Refractivity 70.11

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Updated at
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