Structure Database (LMSD)

Common Name
ergosta-5,7,22,24(28)-tetraen-3beta-ol
Systematic Name
ergosta-5,7,22E,24(28)-tetraen-3β-ol
Synonyms
  • (22E)-24-methylcholesta-5,7,22,24(24(1))-tetraen-3beta-ol
  • Ergosta-5,7,22,24(24(1))-tetraen-3beta-ol
  • Ergosta-5,7,22,24(241)-tetraen-3beta-ol
  • Ergosta-5,7,22,24(28)-tetraen-3beta-ol
  • ergosta-5,7,22,24(24(1))-tetraen-3beta-ol
LM ID
LMST01031015
Formula
C28H42O
Exact Mass
Calculate m/z
394.323565
Sum Composition
ST 28:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

String Representations

InChiKey (Click to copy)
SQFQJKZSFOZDJY-CVGLIYDESA-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)
C1C[C@H](O)CC2=CC=C3[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)/C=C/C(=C)C(C)C)CC[C@]13[H]

Other Databases

KEGG ID
C05440
CHEBI ID
18249
PubChem CID
11090531
SwissLipids ID
SLM:000000327

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
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