Structure Database (LMSD)

H H HO H H H
Common Name
Campesterol
Systematic Name
campest-5-en-3β-ol
Synonyms
LM ID
LMST01030097
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

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

String Representations

InChiKey (Click to copy)
SGNBVLSWZMBQTH-PODYLUTMSA-N
InChi (Click to copy)
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Brassica rapa subsp. oleifera (#145471)
Magnoliopsida (#3398)
Isolation of a New Phytosterol: Campesterol,
J Am Chem Soc, 1941
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

Wikipedia
Campesterol
KEGG ID
C01789
HMDB ID
HMDB0002869
CHEBI ID
28623
LIPIDBANK ID
SST9063
PubChem CID
173183

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
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 7.92
Molar Refractivity 124.11

Admin

Created at
-
Updated at
24th Jan 2024