LIPID MAPS

Structure Database (LMSD)

Systematic Name

24-methylene,25-methylcholesta-5-en-3β-ol

Synonyms

LM ID

LMST01030104

Status

Active

Exact Mass

Calculate m/z

412.370515

Formula

C₂₉H₄₈O

Abbrev

ST 29:2;O

Show lipids differing only in stereochemistry/bond geometry

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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)

QXDHYSHOINNEAZ-HSIBUNQISA-N

InChi (Click to copy)

InChI=1S/C29H48O/c1-19(8-9-20(2)27(3,4)5)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,6)26(23)15-17-29(24,25)7/h10,19,22-26,30H,2,8-9,11-18H2,1,3-7H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Other Databases

LIPIDBANK ID

SST9095

PubChem CID

5283645

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 4

Aromatic Rings 0

Rotatable Bonds 5

Van der Waals Molecular Volume 464.33

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 8.23

Molar Refractivity 128.70

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