Structure Database (LMSD)

Common Name
Ganosporeric acid A
Systematic Name
(25R)-3,7,11,12,15,23-hexaoxo-lanost-8-ene-26-oic acid
Synonyms
LM ID
LMST01010393
Formula
C30H38O8
Exact Mass
Calculate m/z
526.25667
Sum Composition
ST 30:8;O8
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganoderma lucidum (#5315)
Agaricomycetes (#155619)
Studies on the Triterpenoid Constituents of the Spores of Ganoderma lucidum (Curt.: Fr.) P. Karst. (Aphyllophoromycetideae),
Int J Med Mushrooms, 2015

String Representations

InChiKey (Click to copy)
AKWNYHCILPEENZ-YFIDGAHXSA-N
InChi (Click to copy)
InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)/t14-,15-,17-,19+,28+,29+,30+/m1/s1
SMILES (Click to copy)
C(C(=O)C[C@@H](C)C(O)=O)[C@H]([C@]1([H])[C@]2(C)[C@@](C3C(=O)C[C@]4([H])[C@@](CCC([C@@]4(C)C)=O)(C)C=3C(C2=O)=O)(C)C(=O)C1)C

Other Databases

HMDB ID
HMDB33022
PubChem CID
21121497

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 527.32
Topological Polar Surface Area 139.72
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 3.73
Molar Refractivity 135.82

Admin

Created at
-
Updated at
10th Mar 2021