Structure Database (LMSD)

Common Name
Glucosyl-3-keto-1,25R-hexacosanediol
Systematic Name
1-(O-α-D-glucopyranosyl)-3-oxo-1,25R-hexacosanediol
Synonyms
  • 1-(O-alpha-D-glucopyranosyl)-3-keto-1,25R-hexacosanediol
LM ID
LMFA13010052
Status
Active
Exact Mass
Calculate m/z
574.44447
Formula


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)
ZAOCREGSHHBKIE-JJPWUKMOSA-N
InChi (Click to copy)
InChI=1S/C32H62O8/c1-26(34)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-27(35)23-24-39-32-31(38)30(37)29(36)28(25-33)40-32/h26,28-34,36-38H,2-25H2,1H3/t26-,28-,29-,30+,31-,32+/m1/s1
SMILES (Click to copy)
O([C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)CCC(=O)CCCCCCCCCCCCCCCCCCCCC[C@H](O)C

References

Reference
Soriente, A., Sodano, G., Gambacorta, A., and Trincone, A.
(1992) Structure of heterocyst glycolipids from the
marine cyanobacterium, Nodularia harveyana. Tetrahedron,
48, 5375-5384.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nodularia harveyana (#114805)
Structure of the “heterocyst glycolipids” of the marine cyanobacterium Nodularia harveyana,
Tetrahedron, 1992

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 1
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 617.48
Topological Polar Surface Area 138.75
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 7.62
Molar Refractivity 162.03

Admin

Created at
-
Updated at
8th Apr 2021