Structure database (LMSD)

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LM IDLMFA13010020
Common Name1-(O-α-D-glucopyranosyl)-3-keto-(1,25R)-hexacosanediol
Systematic Name1-(O-α-D-glucopyranosyl)-3-keto-(1,25R)-hexacosanediol
Synonyms-
Exact Mass
574.4445 (neutral)    Calculate m/z:
FormulaC32H62O8
CategoryFatty Acyls [FA]
Main ClassFatty acyl glycosides [FA13]
Sub ClassFatty acyl glycosides of mono- and disaccharides [FA1301]
PubChem CID21727234
InChIKeyZAOCREGSHHBKIE-JJPWUKMOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C32H62O8/c1-26(34)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-27(35)23-24-39-32-31(38)30(37)29(36)28(25-33)40-32/h26,28-34,36-38H,2-25H2,1H3/t26-,28-,29-,30+,31-,32+/m1/s1
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SMILES
O([C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)CCC(=O)CCCCCCCCCCCCCCCCCCCCC[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 Atoms40Rings1Aromatic Rings0Rotatable Bonds27
 van der Waals
Molecular Volume
617.48Topological Polar
Surface Area
138.75Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
8
 logP7.62Molar
Refractivity
162.03