Structure Database (LMSD)

Common Name
Ascaroside C3
Systematic Name
3-(3,6-dideoxy-α-L-arabinosyloxy)-propanoic acid
Synonyms
  • ascr#5
LM ID
LMFA13040005
Status
Active
Exact Mass
Calculate m/z
220.09469
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
RYYMJVGKZLQYPG-YYWONIAYSA-N
InChi (Click to copy)
InChI=1S/C9H16O6/c1-5-6(10)4-7(11)9(15-5)14-3-2-8(12)13/h5-7,9-11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,9+/m0/s1
SMILES (Click to copy)
O(CCC(=O)O)[C@H]1[C@H](O)C[C@@H](O)[C@H](C)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caenorhabditis elegans (#6239)
Chromadorea (#119089)
A Potent Dauer Pheromone Component in Caenorhabditis Elegans That Acts Synergistically With Other Components,
Proc Natl Acad Sci U S A, 2008
Pubmed ID: 18791072

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 202.00
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 0.76
Molar Refractivity 51.71

Admin

Created at
11th Jun 2020
Updated at
11th Jun 2020