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Compounds

COMPOUND NPA003464

STRUCTURE

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PROPERTIES

NPAID	NPA003464
CLUSTER ID	34
NODE ID	33
NAME	Heterobactin A
FORMULA	C27H33N7O10
MOLECULAR WEIGHT (Da)	615.6000
ACCURATE MASS (Da)	615.2289
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Rhodococcus
ORIGIN SPECIES	erythropolis
InChIKey	SDUJQEWEVFATFH-SJORKVTESA-N
InChI	InChI=1S/C27H33N7O10/c28-27(33-24(41)15-6-2-10-19(36)22(15)39)29-11-3-7-16(32-23(40)14-5-1-9-18(35)21(14)38)25(42)30-13-20(37)31-17-8-4-12-34(44)26(17)43/h1-2,5-6,9-10,16-17,35-36,38-39,44H,3-4,7-8,11-13H2,(H,30,42)(H,31,37)(H,32,40)(H3,28,29,33,41)/t16-,17+/m1/s1
SMILES	C1C[C@@H](C(=O)N(C1)O)NC(=O)CNC(=O)[C@@H](CCCN=C(N)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Bosello, Mattia; Zeyadi, Mustafa; Kraas, Femke I.; Linne, Uwe; Xie, Xiulan; Marahiel, Mohamed A. Structural characterization of the heterobactin siderophores from rhodococcus erythropolis PR4 and elucidation of their biosynthetic machinery Journal of Natural Products 2013 76 (12) 2282-2290.
DOI	10.1021/np4006579	PMID	24274668

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Corynebacteriales	LPSN	85007
Family	Nocardiaceae	LPSN	85025
Genus	Rhodococcus	LPSN	1827

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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