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
Status
Active
Exact Mass
Calculate m/z
420.23006
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

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

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

Other Databases

PubChem CID

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