Structure Database (LMSD)

Common Name
Patinosterol
Systematic Name
(24S)-26-nor-5α-cholest-22E-en-3β-ol
Synonyms
LM ID
LMST01010316
Formula
C27H46O
Exact Mass
Calculate m/z
386.354865
Sum Composition
ST 27:1;O
Status
Curated
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
Mizuhopecten yessoensis (#6573)
Bivalvia (#6544)
Marine sterols. VII. Synthesis of patinosterol, a minor constituent of sterols of the scallop, Patinopecten yessoensis.,
Steroids, 1977
Pubmed ID: 910252

String Representations

InChiKey (Click to copy)
MQDWBAYFXRRHRX-BPTFOWNUSA-N
InChi (Click to copy)
InChI=1S/C27H46O/c1-6-18(2)7-8-19(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/h7-8,18-25,28H,6,9-17H2,1-5H3/b8-7+/t18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@@H](C)CC)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1

Other Databases

CHEBI ID
172980
PubChem CID
6453642

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 432.37
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.53
Molar Refractivity 119.49

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Updated at
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