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
Exact Mass
Calculate m/z
420.23006
Sum Composition
Status
Active
3D model of 7-cis-Laetiporic 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)
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
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
Admin
Created at
31st Oct 2021
Updated at
31st Oct 2021