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Compounds

COMPOUND NPA017560

STRUCTURE

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PROPERTIES

NPAID	NPA017560
CLUSTER ID	5883
NODE ID	4135
NAME	Isobongkrekic acid,
FORMULA	C28H38O7
MOLECULAR WEIGHT (Da)	486.6050
ACCURATE MASS (Da)	486.2618
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Pseudomonas
ORIGIN SPECIES	cocovenenans
InChIKey	SHCXABJSXUACKU-WUTQZGRKSA-N
InChI	InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1
SMILES	C[C@@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(=C\C(=O)O)/CC(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Lauquin, Guy JM; Duplaa, Anne M; Klein, Gerard; Rousseau, Albert; Vignais, Pierre V Isobongkrekic acid, a new inhibitor of mitochondrial ADP-ATP transport: radioactive labeling and chemical and biological properties Biochemistry 1976 15 (11) 2323-2327.
DOI	10.1021/bi00656a012	PMID	1276139

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Pseudomonadales	LPSN	72274
Family	Pseudomonadaceae	LPSN	135621
Genus	Pseudomonas	LPSN	286

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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