Structure database (LMSD)

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LM IDLMFA13010005
Common Name1-O-α-D-glucopyranosyl-1,2-eicosandiol
Systematic Name1-O-α-D-glucopyranosyl-1,2-eicosandiol
Synonyms-
Exact Mass
476.3713 (neutral)    Calculate m/z:
FormulaC26H52O7
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID42607339
InChIKeyNNSQMUPTXPAGLB-RWAJGHALSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(28)20-32-26-2
5(31)24(30)23(29)22(19-27)33-26/h21-31H,2-20H2,1H3/t21?,22?,23-,24?,25+,26+/m1/s
1
SMILESOC(CCCCCCCCCCCCCCCCCC)CO[C@@H]1[C@H](C(O)[C@H](O)C(CO)O1)O
StatusActive
SpeciesRoseiflexus castenholzii (a thermophilic bacterium)
CommentsSubmitted by Henry Boumann, Netherlands
Referencesvan der Meer, M et al, Arch Microbiol (2002) 178 :229-237 (DOI 10.1007/s00203-002-0449-8)
Calculated physicochemical properties (?):
 Heavy Atoms33Rings1Aromatic Rings0Rotatable Bonds21
 van der Waals
Molecular Volume
507.53Topological Polar
Surface Area
121.68Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
7
 logP6.10Molar
Refractivity
133.94