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Compounds

COMPOUND NPA021107

STRUCTURE

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PROPERTIES

NPAID	NPA021107
CLUSTER ID	6613
NODE ID	4583
NAME	Agrocin 84
FORMULA	C22H36N6O16P2
MOLECULAR WEIGHT (Da)	702.5040
ACCURATE MASS (Da)	702.1663
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Agrobacterium
ORIGIN SPECIES	radiobacter
InChIKey	FIMRCGIHIAIVOL-LQIBLKNOSA-N
InChI	InChI=1S/C22H36N6O16P2/c1-8(2)13(32)15(34)20(36)27-45(37,38)41-5-9-3-10(30)21(42-9)28-7-25-12-18(23-6-24-19(12)28)26-46(39,40)44-22-16(35)14(33)17(43-22)11(31)4-29/h6-11,13-17,21-22,29-35H,3-5H2,1-2H3,(H2,27,36,37,38)(H2,23,24,26,39,40)/t9-,10-,11+,13+,14-,15-,16+,17-,21+,22-/m0/s1
SMILES	CC(C)[C@H]([C@@H](C(=O)NP(=O)(O)OC[C@@H]1C[C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NP(=O)(O)O[C@H]4[C@@H]([C@@H]([C@@H](O4)[C@@H](CO)O)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Das PK; Basu M; Chatterjee GC STUDIES ON THE MODE OF ACTION OF AGROCIN 84 Journal of Antibiotics 1978 31 (5) 490-492.
DOI	10.7164/antibiotics.31.490	PMID	670092

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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