Structure Database (LMSD)

Common Name
Ergosta-5,7,22E,24(28)-tetraenol
Systematic Name
24-methylene-cholesta-5,7,22E-trien-3β-ol
Synonyms
LM ID
LMST01031002
Formula
Exact Mass
Calculate m/z
394.323565
Sum Composition
Status
Curated

Classification

Reactions

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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
Interactions of the ergosterol biosynthetic pathway with other lipid pathways.,
Biochem Soc Trans, 2005
Pubmed ID: 16246076

String Representations

InChiKey (Click to copy)
SQFQJKZSFOZDJY-HDGIISFRSA-N
InChi (Click to copy)
InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3/b8-7+/t20-,22+,24-,25?,26?,27+,28-/m1/s1
SMILES (Click to copy)
C12=CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@]1(C)[C@@]([H])([C@@](C)([H])/C=C/C(=C)C(C)C)CCC21

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 441.75
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.54
Molar Refractivity 123.97

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Created at
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Updated at
28th Apr 2021