Structure Database (LMSD)

Common Name
Lathosterol
Systematic Name
cholest-7-en-3β-ol
Synonyms
LM ID
LMST01010089
Formula
C27H46O
Exact Mass
Calculate m/z
386.354865
Sum Composition
ST 27:1;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]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299
Homo sapiens (#9606)
Mammalia (#40674)
Sterols of human gallstones: the recent identification of eight different digitonin precipitable sterols.,
Gastroenterology, 1980
Pubmed ID: 7429114

String Representations

InChiKey (Click to copy)
IZVFFXVYBHFIHY-SKCNUYALSA-N
InChi (Click to copy)
InChI=1S/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,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])C[C@@H](O)C1

Other Databases

Wikipedia
Lathosterol
KEGG ID
C01189
HMDB ID
HMDB0001170
CHEBI ID
17168
LIPIDBANK ID
SST9096
PubChem CID
65728
SwissLipids ID
SLM:000000193
Cayman ID
9003102

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 432.37
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.68
Molar Refractivity 119.56

Admin

Created at
-
Updated at
26th Jan 2022