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Compounds

COMPOUND NPA024863

STRUCTURE

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PROPERTIES

NPAID	NPA024863
CLUSTER ID	2398
NODE ID	1886
NAME	Aerobactin
FORMULA	C22H36N4O13
MOLECULAR WEIGHT (Da)	564.5450
ACCURATE MASS (Da)	564.2279
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Aerobacter
ORIGIN SPECIES	aerogenes 62-1
InChIKey	KDHHWXGBNUCREU-HOTGVXAUSA-N
InChI	InChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/t15-,16-/m0/s1
SMILES	CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)O)(C(=O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Gibson F; Magrath DI The isolation and characterization of a hydroxamic acid (aerobactin) formed by Aerobacter aerogenes 62-I. Biochimica et Biophysica Acta 1969 192 (2) 175-184.
DOI	10.1016/0304-4165(69)90353-5	PMID	4313071

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Enterobacterales	LPSN	91347
Family	Enterobacteriaceae	LPSN	543
Genus	Aerobacter	LPSN	-

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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