Structure database (LMSD)

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LM IDLMFA13040001
Common Namedhas#18
Systematic Name10R-(3,6-dideoxy-α-L-arabinosyloxy)-3R,8R-dihydroxy-undecanoic acid
Synonyms-
Exact Mass
364.2097 (neutral)    Calculate m/z:
FormulaC17H32O8
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassAscarosides [FA1304]
PubChem CID137628431
InChIKeyKOPWGKUEIMDQOP-ULRVOZHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
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
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StatusActive
ReferencesSex-specific Mating Pheromones in the Nematode Panagrellus Redivivus
Proc Natl Acad Sci U S A. 2012
DOI: 10.1073/pnas.1218302109
PMID: 23213209
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
357.98Topological Polar
Surface Area
138.75Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
8
 logP2.40Molar
Refractivity
92.45