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Compounds

COMPOUND NPA017560

STRUCTURE
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PROPERTIES
NPAID NPA017560
CLUSTER ID 5902
NODE ID 4147
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
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