Structure Database (LMSD)

Common Name
Dokdolipid A
Systematic Name
3-O-(α-L-rhamnopyranosyl)-3R,17R-dihydroxy-octadecanoic acid
Synonyms
LM ID
LMFA13030020
Formula
C24H46O8
Exact Mass
Calculate m/z
462.31927
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Rhamnolipids [FA1303]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Actinoalloteichus hymeniacidonis (#340345)
Actinomycetes (#1760)
Characterization of Rhamnolipids Produced by an Arctic Marine Bacterium from the Pseudomonas fluorescence Group.,
Mar Drugs, 2018
Pubmed ID: 29758007

String Representations

InChiKey (Click to copy)
HBVOFRPVBQZAOZ-YCMGUTOWSA-N
InChi (Click to copy)
InChI=1S/C24H46O8/c1-17(25)14-12-10-8-6-4-3-5-7-9-11-13-15-19(16-20(26)27)32-24-23(30)22(29)21(28)18(2)31-24/h17-19,21-25,28-30H,3-16H2,1-2H3,(H,26,27)/t17-,18+,19-,21+,22-,23-,24+/m1/s1
SMILES (Click to copy)
O([C@H](CCCCCCCCCCCCC[C@H](O)C)CC(=O)O)[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1

Other Databases

PubChem CID
146682923

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 479.08
Topological Polar Surface Area 138.75
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 5.13
Molar Refractivity 124.77

Admin

Created at
26th Feb 2021
Updated at
11th Nov 2021