Rha-C12-C12 (PAMDB120625)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120625
Identification
Name: Rha-C12-C12
Description:Rhamnolipids are biosurfactant molecules produced by various bacterial species, including Pseudomonas aeruginosa . In Pseudomonas aeruginosa , rhamnolipid production is mediated by enzymes encoded by the genes rhlA, rhlB, and rhlC. Rhamnolipids have been shown to have antimicrobial activity, but are also shown to have involvement in surface motility, biofilm development, and immune system modulation.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:(R)-3-(((R)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)dodecanoyl)oxy)dodecanoic acid
Chemical Formula: C30H56O9
Average Molecular Weight: 560.7602
Monoisotopic Molecular Weight: 560.3924
InChI Key: OXOZZIQAJFDZGU-JGZWOKGSSA-N
InChI:InChI=1S/C30H56O9/c1-4-6-8-10-12-14-16-18-23(20-25(31)32)38-26(33)21-24(19-17-15-13-11-9-7-5-2)39-30-29(36)28(35)27(34)22(3)37-30/h22-24,27-30,34-36H,4-21H2,1-3H3,(H,31,32)/t22-,23+,24+,27-,28+,29+,30-/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CCCCCCCCC[C@H](CC(=O)O)OC(=O)C[C@@H](CCCCCCCCC)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O
Chemical Taxonomy
Taxonomy DescriptionNot Available
Kingdom Not Available
Super ClassNot Available
Class Not Available
Sub ClassNot Available
Direct Parent Not Available
Alternative Parents Not Available
Substituents Not Available
Molecular Framework Not Available
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Boiling Point 1415.63 [K]ChemDraw
Melting Point 821.97 [K}ChemDraw
Critical Temp 1388.65 [K]ChemDraw
Critical Pres 7.45 [Bar]ChemDraw
Critical Vol 1778.5 [cm3/mol]ChemDraw
Gibbs Energy -1065.41 [kJ/mol]ChemDraw
Log P 5.67ChemDraw
MR 148.41 [cm3/mol]ChemDraw
Henry's Law 15.85ChemDraw
Heat of Form -2088.59 [kJ/mol]ChemDraw
tPSA 142.75ChemDraw
CLogP 8.01275ChemDraw
CMR 15.0571ChemDraw
Biological Properties
Cellular Locations: Not Available
Reactions:Not Available
Pathways: Not Available
Spectra
Spectra: Not Available
References
References:
  • Abdel-Mawgoud AM, Lepine F, Deziel E. Rhamnolipids: diversity of structures, microbial origins, and roles. Appl Microbiol Biotechnol. 2010; 86(5):1323-36. Pubmed: 20336292
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links: Not Available