LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Systematic Name

5α-Cholestane-3α,7α,12α,23S,25-pentol

Synonyms

LM ID

LMST01010238

Formula

C₂₇H₄₈O₅

Exact Mass

Calculate m/z

452.350175

Sum Composition

ST 27:0;O5

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

OXSBBBPDYVCAKC-TZKLZKNISA-N

InChi (Click to copy)

InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16-,17-,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Absolute configuration at carbon 23 of 5 beta-cholestane-3 alpha,7 alpha,12 alpha,23,25-pentol excreted by patients with cerebrotendinous xanthomatosis.,
J Lipid Res, 1984

Pubmed ID: 6491531