LIPID MAPS

Common Name

5alpha,6alpha-dihydroxycholestanol

Systematic Name

cholestane-3β,5α,6α-triol

Synonyms

LM ID

LMST01010510

Status

Active

Exact Mass

Calculate m/z

420.360345

Formula

C₂₇H₄₈O₃

Abbrev

ST 27:0;O3

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".

Classification

String Representations

InChiKey (Click to copy)

YMMFNKXZULYSOQ-ZEQHCUNVSA-N

InChi (Click to copy)

InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1

SMILES (Click to copy)

[C@]12(C[C@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

The oxysterols cholest-5-ene-3 beta,4 alpha-diol, cholest-5-ene-3 beta,4 beta-diol and cholestane-3 beta,5 alpha,6 alpha-triol are formed during in vitro oxidation of low density lipoprotein, and are present in human atherosclerotic plaques.,
Biochim Biophys Acta, 1996

Pubmed ID: 8695664