Structure database (LMSD)

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LM IDLMFA13010006
Common Name1-O-α-D-glucopyranosyl-1,2-nonadecandiol
Systematic Name1-O-α-D-glucopyranosyl-1,2-nonadecandiol
Synonyms-
Exact Mass
462.3557 (neutral)    Calculate m/z:
FormulaC25H50O7
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID42607340
InChIKeyJTORERGMBRHZTA-XRZJDDJOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H50O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(27)19-31-25-24(3
0)23(29)22(28)21(18-26)32-25/h20-30H,2-19H2,1H3/t20?,21?,22-,23?,24+,25+/m1/s1
SMILESOC(CCCCCCCCCCCCCCCCC)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 Atoms32Rings1Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
490.23Topological Polar
Surface Area
121.68Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
7
 logP5.71Molar
Refractivity
129.32