Structure Database (LMSD)

Common Name
3-O-alpha-L-rhamnopyranosyl-3-hydroxypalmitoyl-3-hydroxydecanoic acid
Systematic Name
3-O-α-L-rhamnopyranosyl-3-hydroxyhexadecanoyl-3-hydroxydecanoic acid
Synonyms
LM ID
LMFA13030015
Formula
C32H60O9
Exact Mass
Calculate m/z
588.423735
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
Pseudomonas gessardii (#78544)
Gammaproteobacteria (#1236)
Characterization of a New Mixture of Mono-Rhamnolipids Produced by Pseudomonas gessardii Isolated from Edmonson Point (Antarctica).,
Mar Drugs, 2020
Pubmed ID: 32443698
Pseudomonas gessardii (#78544)
Gammaproteobacteria (#1236)
Characterization of a New Mixture of Mono-Rhamnolipids Produced by Pseudomonas gessardii Isolated from Edmonson Point (Antarctica).,
Mar Drugs, 2020
Pubmed ID: 32443698

String Representations

InChiKey (Click to copy)
IZDHPTNSHYNWRJ-LUFCMLNSSA-N
InChi (Click to copy)
InChI=1S/C32H60O9/c1-4-6-8-10-11-12-13-14-15-17-19-21-26(41-32-31(38)30(37)29(36)24(3)39-32)23-28(35)40-25(22-27(33)34)20-18-16-9-7-5-2/h24-26,29-32,36-38H,4-23H2,1-3H3,(H,33,34)/t24-,25?,26?,29-,30+,31+,32-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCCCCCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O

Other Databases

PubChem CID
171119036

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 1
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 623.63
Topological Polar Surface Area 144.82
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 8.04
Molar Refractivity 162.02

Admin

Created at
29th May 2020
Updated at
29th May 2020