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Compounds

COMPOUND NPA017357

STRUCTURE

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PROPERTIES

NPAID	NPA017357
CLUSTER ID	1053
NODE ID	907
NAME	Agrochelin
FORMULA	C23H34N2O4S2
MOLECULAR WEIGHT (Da)	466.6690
ACCURATE MASS (Da)	466.1960
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Agrobacterium
ORIGIN SPECIES	sp ALET-304
InChIKey	QZBCDLLHQSDFIG-ZEVBXJOLSA-N
InChI	InChI=1S/C23H34N2O4S2/c1-5-6-7-9-14-10-8-11-17(26)18(14)20-24-15(12-30-20)21-25(4)16(13-31-21)19(27)23(2,3)22(28)29/h8,10-11,15-16,19,21,26-27H,5-7,9,12-13H2,1-4H3,(H,28,29)/t15-,16+,19-,21+/m1/s1
SMILES	CCCCCC1=C(C(=CC=C1)O)C2=N[C@H](CS2)[C@H]3N([C@@H](CS3)[C@H](C(C)(C)C(=O)O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Acebal, Cristina; Canedo, Librada M.; Fernandez Puentes, Jose L.; Baz, Julia Perez; Romero, Francisco; De La Calle, Fernando; Garcia Gravalos, M. Dolores; Rodriguez, Pilar Agrochelin, a new cytotoxic antibiotic from a marine Agrobacterium. Taxonomy, fermentation, isolation, physico-chemical properties and biological activity Journal of Antibiotics 1999 52 (11) 983-987.
DOI	10.7164/antibiotics.52.983	PMID	10656570

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Rhizobiales	LPSN	-
Family	Rhizobiaceae	LPSN	82115
Genus	Agrobacterium	LPSN	357

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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