Structure Database (LMSD)

Common Name
4alpha-methylzymosterol
Systematic Name
4α-methyl-5α-cholesta-8,24-dien-3β-ol
Synonyms
  • (3beta,4alpha,5alpha)-4-methylcholesta-8,24-dien-3-ol
  • 4alpha-Methylzymosterol
LM ID
LMST01010202
Status
Active
Exact Mass
Calculate m/z
398.354865
Formula
C28H46O
Abbrev
ST 28:2;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

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

String Representations

InChiKey (Click to copy)
FOUJWBXBKVVHCJ-YIJYGBTNSA-N
InChi (Click to copy)
InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)[C@@H](C)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)CC/C=C(/C)\C)CC[C@]13[H]

References

Other Databases

KEGG ID
C05103
HMDB ID
HMDB0001217
CHEBI ID
1949
PubChem CID
22212495
SwissLipids ID
SLM:000000585

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 447.03
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.99
Molar Refractivity 124.16

Reactions

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Updated at
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