Structure Database (LMSD)

Common Name
Dokdolipid C
Systematic Name
3-O-(α-L-rhamnopyranosyl-(1-2)-α-L- rhamnopyranosyl)-3R,17R-dihydroxy-octadecanoic acid
Synonyms
LM ID
LMFA13030022
Formula
C30H56O12
Exact Mass
Calculate m/z
608.37718
Status
Curated
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)
RYTIKEDVGHOTEX-AKPHOZAOSA-N
InChi (Click to copy)
InChI=1S/C30H56O12/c1-18(31)15-13-11-9-7-5-4-6-8-10-12-14-16-21(17-22(32)33)41-30-28(26(37)24(35)20(3)40-30)42-29-27(38)25(36)23(34)19(2)39-29/h18-21,23-31,34-38H,4-17H2,1-3H3,(H,32,33)/t18-,19+,20+,21-,23+,24+,25-,26-,27-,28-,29+,30+/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]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@H](O)[C@@H](O)[C@H](C)O1

Other Databases

PubChem CID
146682924

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 2
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 605.68
Topological Polar Surface Area 199.74
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 5.41
Molar Refractivity 158.55

Admin

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