LIPID MAPS

Structure Database (LMSD)

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Systematic Name

4α-methyl-5α-cholest-8(14)-en-3β-ol

Synonyms

LM ID

LMST01010526

Formula

C₂₈H₄₈O

Exact Mass

Calculate m/z

400.370515

Sum Composition

ST 28:1;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Caenorhabditis elegans (#6239)

Chromadorea (#119089)

Novel nuclear methylation of sterols by the nematode Caenorhabditis elegans.,
Steroids, 1983

Pubmed ID: 6673193

String Representations

InChiKey (Click to copy)

UIPYFONRKZTOIY-GQZGFCDBSA-N

InChi (Click to copy)

InChI=1S/C28H48O/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/h18-20,22-23,25-26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,25+,26+,27-,28+/m1/s1

SMILES (Click to copy)

C12CC[C@@]3([H])[C@H](C)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CCC=21

Other Databases

CHEBI ID

71581

PubChem CID

23621393

SwissLipids ID

SLM:000000194

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 4

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 449.67

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 8.07

Molar Refractivity 124.18

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Created at

18th Apr 2023

Updated at