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
Formula
C17H32O8
Exact Mass
Calculate m/z
364.20972
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Ascarosides [FA1304]

References

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

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

Other Databases

PubChem CID
137628431
SMID ID
dhas#18

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