LIPID MAPS

Structure Database (LMSD)

Common Name

Latimerol

Systematic Name

5α-Cholestane-3β,7α,12α,26,27-pentol

Synonyms

LM ID

LMST04030009

Status

Active

Exact Mass

Calculate m/z

452.350175

Formula

C₂₇H₄₈O₅

Abbrev

ST 27:0;O5

Show lipids differing only in stereochemistry/bond geometry

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)

JNMALBXXJSWZQY-CDVBXDGBSA-N

InChi (Click to copy)

InChI=1S/C27H48O5/c1-16(5-4-6-17(14-28)15-29)20-7-8-21-25-22(13-24(32)27(20,21)3)26(2)10-9-19(30)11-18(26)12-23(25)31/h16-25,28-32H,4-15H2,1-3H3/t16-,18-,19+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(CO)CO)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]2([H])C[C@@H](O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Latimeria chalumnae (#7897)

Bile salts of the coelacanth, Latimeria chalumnae.,
J Lipid Res, 1984

Pubmed ID: 6530590

Other Databases

LIPIDBANK ID

BBA0311

PubChem CID

5284188

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 4

Aromatic Rings 0

Rotatable Bonds 7

Van der Waals Molecular Volume 470.17

Topological Polar Surface Area 101.15

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 5

logP 4.78

Molar Refractivity 127.20

Admin

Created at

Updated at

4th Feb 2021