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Compounds

COMPOUND NPA003327

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA003327
CLUSTER ID	1612
NODE ID	1321
NAME	BBGL-I
FORMULA	C49H86O7
MOLECULAR WEIGHT (Da)	787.2200
ACCURATE MASS (Da)	786.6374
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Borrelia
ORIGIN SPECIES	burgdorferi B31 (ATCC 35210)
InChIKey	YPMUZVRAVKLKGC-IDLZYDTFSA-N
InChI	InChI=1S/C49H86O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-43(50)54-33-42-44(51)45(52)46(53)47(56-42)55-37-28-30-48(5)36(32-37)24-25-38-40-27-26-39(35(4)22-20-21-34(2)3)49(40,6)31-29-41(38)48/h24,34-35,37-42,44-47,51-53H,7-23,25-33H2,1-6H3/t35-,37?,38+,39-,40+,41+,42-,44+,45+,46-,47-,48+,49-/m1/s1
SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CCCC(C)C)C)C)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ben-Menachem, Gil; Kubler-Kielb, Joanna; Coxon, Bruce; Yergey, Alfred; Schneerson, Rachel A newly discovered cholesteryl galactoside from Borrelia burgdorferi Proceedings of the National Academy of Sciences of the United States of America 2003 100 (13) 7913-7918.
DOI	10.1073/pnas.1232451100	PMID	12799465

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Spirochaetes	LPSN	203691
Class	Spirochaetes	LPSN	-
Order	Spirochaetales	LPSN	136
Family	Borreliaceae	LPSN	1643685
Genus	Borrelia	LPSN	138

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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