LIPID MAPS

Structure Database (LMSD)

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Systematic Name

24-methylcholesta-5,24-dien-3β-ol

Synonyms

LM ID

LMST01030110

Formula

C₂₈H₄₆O

Exact Mass

Calculate m/z

398.354865

Sum Composition

ST 28:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

String Representations

InChiKey (Click to copy)

YTFTXKBJICNYCV-PXBBAZSNSA-N

InChi (Click to copy)

InChI=1S/C28H46O/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/h9,20,22-26,29H,7-8,10-17H2,1-6H3/t20-,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(/C)=C(\C)/C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

Other Databases

CHEBI ID

172991

LIPIDBANK ID

SST9122

PubChem CID

193567

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 4

Aromatic Rings 0

Rotatable Bonds 4

Van der Waals Molecular Volume 447.03

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 7.99

Molar Refractivity 124.16

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