Structure Database (LMSD)

Systematic Name
5β-Chol-8(14)-en-24-oic Acid
Synonyms
LM ID
LMST04010269
Status
Active
Exact Mass
Calculate m/z
358.28718
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RECYEDMAPDKCSM-LVARZUFQSA-N
InChi (Click to copy)
InChI=1S/C24H38O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-17,19,21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,19-,21+,23+,24-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CCC4=C3CC[C@]2([H])CCC1

References

Other Databases

LIPIDBANK ID
BBA0269
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 386.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.60
Molar Refractivity 105.91

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Created at
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Updated at
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