Structure Database (LMSD)

Common Name
dhas#18
Systematic Name
10R-(3,6-dideoxy-α-L-arabinosyloxy)-3R,8R-dihydroxy-undecanoic acid
Synonyms
LM ID
LMFA13040001
Status
Active
Exact Mass
Calculate m/z
364.20972
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)
KOPWGKUEIMDQOP-ULRVOZHWSA-N
InChi (Click to copy)
InChI=1S/C17H32O8/c1-10(24-17-15(21)9-14(20)11(2)25-17)7-12(18)5-3-4-6-13(19)8-16(22)23/h10-15,17-21H,3-9H2,1-2H3,(H,22,23)/t10-,11+,12-,13-,14-,15-,17-/m1/s1
SMILES (Click to copy)
O([C@@H](C[C@H](O)CCCC[C@@H](O)CC(=O)O)C)[C@H]1[C@H](O)C[C@@H](O)[C@H](C)O1

References

Reference
Sex-specific Mating Pheromones in the Nematode Panagrellus Redivivus
Proc Natl Acad Sci U S A. 2012
DOI: 10.1073/pnas.1218302109
PMID: 23213209

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caenorhabditis elegans (#6239)
Chromadorea (#119089)
Sex-specific mating pheromones in the nematode Panagrellus redivivus.,
Proc Natl Acad Sci U S A, 2012
Pubmed ID: 23213209

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 357.98
Topological Polar Surface Area 138.75
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 2.40
Molar Refractivity 92.45

Admin

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