Structure database (LMSD)

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LM IDLMFA13010017
Common Name1-(O-α-D-glucopyranosyl)-(1,3R,29S,31R)-dotriacontanetetrol
Systematic Name1-(O-α-D-glucopyranosyl)-(1,3R,29S,31R)-dotriacontanetetrol
Synonyms-
Exact Mass
676.5489 (neutral)    Calculate m/z:
FormulaC38H76O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID102318039
InChIKeyQJUZTIGXFRDBDT-YCNZGTHGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C38H76O9/c1-31(40)29-33(42)26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-32(41)27-28-46-38-37(45)36(44)35(43)34(30-39)47-38/h31-45H,2-30H2,1H3/t31-,32-,33+,34-,35-,36+,37-,38+/m1/s1
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SMILES
O([C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)CC[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C[C@H](O)C
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StatusActive
SpeciesCyanobacteria
CommentsSubmitted by Henry Boumann, Netherlands
ReferencesHeterocyst glycolipids from nitrogen-fixing cyanobacteria other than nostocaceae
Gambacorta et al. Phytochemistry, 1998, 48(5), 801-805
DOI: 10.1016/S0031-9422(97)00954-0
Calculated physicochemical properties (?):
 Heavy Atoms47Rings1Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
732.71Topological Polar
Surface Area
162.14Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
9
 logP9.30Molar
Refractivity
193.15