Structure Database (LMSD)

Common Name
7-cis-Laetiporic acid A
Systematic Name
3-Hydroxy-24-methyl-25-oxo-5E,7Z,9E,11E,13E,15E,17E,19Z,21E,23E-hexacosadecaenoic acid
Synonyms
LM ID
LMFA01060239
Formula
C27H32O4
Exact Mass
Calculate m/z
420.23006
Sum Composition
FA 27:11;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Laetiporus sulphureus (#5630)
Agaricomycetes (#155619)
Laetiporic acids, a family of non-carotenoid polyene pigments from fruit-bodies and liquid cultures of Laetiporus sulphureus (Polyporales, Fungi).,
Phytochemistry, 2005
Pubmed ID: 15797608

String Representations

InChiKey (Click to copy)
KTAMMGIWIFDREV-SLHRBXMBSA-N
InChi (Click to copy)
InChI=1S/C27H32O4/c1-24(25(2)28)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-26(29)23-27(30)31/h3-21,26,29H,22-23H2,1-2H3,(H,30,31)/b4-3+,7-5+,8-6+,11-9+,12-10+,15-13-,16-14-,19-17+,20-18+,24-21+
SMILES (Click to copy)
C(CC(O)C/C=C/C=C\C=C\C=C\C=C\C=C\C=C\C=C/C=C/C=C(\C)/C(=O)C)(=O)O

Other Databases

PubChem CID
102356186

Calculated Physicochemical Properties

Heavy Atoms 31
Rings
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 479.14
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.04
Molar Refractivity 130.09

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Created at
31st Oct 2021
Updated at
31st Oct 2021