Structure Database (LMSD)

Common Name
1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R)-hexacosanediol
Systematic Name
1-(O-α-D-glucopyranosyl)-3-keto-(1,25R)-hexacosanediol
Synonyms
LM ID
LMFA13010020
Formula
C32H62O8
Exact Mass
Calculate m/z
574.44447
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Fatty acyl glycosides of mono- and disaccharides [FA1301]

References

Comments
Submitted by Henry Boumann, Netherlands

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anabaena cylindrica (#1165)
Cyanophyceae (#3028117)
Heterocyst glycolipids from nitrogen-fixing cyanobacteria other than nostocaceae,
Phytochemistry, 1998
Nodularia harveyana (#114805)
Cyanophyceae (#3028117)
Structure of the “heterocyst glycolipids” of the marine cyanobacterium Nodularia harveyana,
Tetrahedron, 1992

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

Other Databases

PubChem CID
21727234

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

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Created at
-
Updated at
9th Apr 2021