Structure database (LMSD)

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LM IDLMST01010202
Common Name4α-methylzymosterol
Systematic Name4α-methyl-5α-cholesta-8,24-dien-3β-ol
Synonyms(3β,4α,5α)-4-methylcholesta-8,24-dien-3-ol; 4α-Methylzymosterol
Exact Mass
398.3549 (neutral)    Calculate m/z:
FormulaC28H46O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
PubChem CID22212495
KEGG IDC05103
HMDB IDHMDB0001217
CHEBI ID1949
SWISSLIPIDS IDSLM:000000585
InChIKeyFOUJWBXBKVVHCJ-YIJYGBTNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1C[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]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
447.03Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.99Molar
Refractivity
124.16