Structure Database (LMSD)

Common Name
3-O-alpha-L-rhamnopyranosyl-3-hydroxymyristoyl-3-hydroxydecanoic acid
Systematic Name
3-O-α-L-rhamnopyranosyl-3-hydroxytetradecanoyl-3-hydroxydecanoic acid
Synonyms
LM ID
LMFA13030014
Formula
C30H56O9
Exact Mass
Calculate m/z
560.392435
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

String Representations

InChiKey (Click to copy)
WMDBOPHOMUTUIP-WKLDAGSTSA-N
InChi (Click to copy)
InChI=1S/C30H56O9/c1-4-6-8-10-11-12-13-15-17-19-24(39-30-29(36)28(35)27(34)22(3)37-30)21-26(33)38-23(20-25(31)32)18-16-14-9-7-5-2/h22-24,27-30,34-36H,4-21H2,1-3H3,(H,31,32)/t22-,23?,24?,27-,28+,29+,30-/m0/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1)C(CCCCCCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O

Other Databases

PubChem CID
171119034

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 1
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 589.03
Topological Polar Surface Area 144.82
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 7.26
Molar Refractivity 152.78

Admin

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