Structure database (LMSD)

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LM IDLMFA13010015
Common Name1-(O-α-D-galactopyranosyl)-(1,3R,27S,29R)-triacontanetetrol
Systematic Name1-(O-α-D-galactopyranosyl)-(1,3R,27S,29R)-triacontanetetrol
Synonyms-
Exact Mass
648.5176 (neutral)    Calculate m/z:
FormulaC36H72O9
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID102318035
InChIKeyDHAXBTRAOIDWEZ-RDNNOLIYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C36H72O9/c1-29(38)27-31(40)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-30(39)25-26-44-36-35(43)34(42)33(41)32(28-37)45-36/h29-43H,2-28H2,1H3/t29-,30-,31+,32-,33+,34+,35-,36+/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)CCCCCCCCCCCCCCCCCCCCCCC[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 Atoms45Rings1Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
698.11Topological Polar
Surface Area
162.14Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
9
 logP8.52Molar
Refractivity
183.91