Structure Database (LMSD)

Common Name
Glisoprenin D
Systematic Name
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2E,6E,10E,14E-tetraene-1,19,23,27,31,34,35-heptol
Synonyms
LM ID
LMPR01080068
Formula
C45H84O7
Exact Mass
Calculate m/z
736.621705
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Polyterpenes [PR0108]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Clonostachys rosea (#29856)
Sordariomycetes (#147550)
Glisoprenins C, D and E, new inhibitors of appressorium formation in Magnaporthe grisea, from cultures of Gliocladium roseum. 2. Structure determination.,
J Antibiot (Tokyo), 1998
Pubmed ID: 9544946

String Representations

InChiKey (Click to copy)
NWNDDBQOCUDCDV-QYOQUFJESA-N
InChi (Click to copy)
InChI=1S/C45H84O7/c1-36(18-11-19-37(2)21-13-23-39(4)26-35-46)20-12-22-38(3)24-14-27-42(7,49)28-15-29-43(8,50)30-16-31-44(9,51)32-17-33-45(10,52)34-25-40(47)41(5,6)48/h18,21-22,26,40,46-52H,11-17,19-20,23-25,27-35H2,1-10H3/b36-18+,37-21+,38-22+,39-26+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCCC(O)(C)CCCC(C)(O)CCCC(C)(O)CCCC(O)(CCC(O)C(O)(C)C)C)O

Other Databases

PubChem CID
10628793

Calculated Physicochemical Properties

Heavy Atoms 52
Rings
Aromatic Rings
Rotatable Bonds 30
Van der Waals Molecular Volume 838.03
Topological Polar Surface Area 141.61
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 7
logP 11.70
Molar Refractivity 222.82

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Created at
6th Mar 2024
Updated at
6th Mar 2024