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Compounds

COMPOUND NPA012539

STRUCTURE

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PROPERTIES

NPAID	NPA012539
CLUSTER ID	428
NODE ID	386
NAME	Ahpatinin Ac
FORMULA	C34H55N5O9
MOLECULAR WEIGHT (Da)	677.8400
ACCURATE MASS (Da)	677.4000
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	MANPMNTVYKVAEV-DZBYZWQYSA-N
InChI	InChI=1S/C34H55N5O9/c1-18(2)14-24(38-33(47)31(20(5)6)39-34(48)30(19(3)4)36-22(8)40)26(41)16-28(43)35-21(7)32(46)37-25(27(42)17-29(44)45)15-23-12-10-9-11-13-23/h9-13,18-21,24-27,30-31,41-42H,14-17H2,1-8H3,(H,35,43)(H,36,40)(H,37,46)(H,38,47)(H,39,48)(H,44,45)/t21-,24-,25-,26-,27-,30-,31-/m0/s1
SMILES	C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Sun, Yi; Takada, Kentaro; Nogi, Yuichi; Okada, Shigeru; Matsunaga, Shigeki Lower homologues of ahpatinin, aspartic protease inhibitors, from a marine Streptomyces sp Journal of Natural Products 2014 77 (7) 1749-1752.
DOI	10.1021/np500337m	PMID	24960234

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

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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