Structure Database (LMSD)

Common Name
Lathosterone
Systematic Name
5α-Cholest-7-en-3-one
Synonyms
LM ID
LMST01010525
Formula
C27H44O
Exact Mass
Calculate m/z
384.339215
Sum Composition
ST 27:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caenorhabditis elegans (#6239)
Chromadorea (#119089)
A novel 3-hydroxysteroid dehydrogenase that regulates reproductive development and longevity.,
PLoS Biol, 2012
Pubmed ID: 22505847

String Representations

InChiKey (Click to copy)
FLRPNSKUGCVRRB-IINKENNYSA-N
InChi (Click to copy)
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3/t19-,20+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])C3=CC[C@@]2([H])CC(=O)C1

Other Databases

CHEBI ID
71550
PubChem CID
15081535
SwissLipids ID
SLM:000000043

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 429.73
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 7.60
Molar Refractivity 118.05

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Created at
17th Apr 2023
Updated at
17th Apr 2023