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Compounds

COMPOUND NPA002480

STRUCTURE

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PROPERTIES

NPAID	NPA002480
CLUSTER ID	164
NODE ID	155
NAME	Actinomycin Y4
FORMULA	C61H84N12O19
MOLECULAR WEIGHT (Da)	1289.4080
ACCURATE MASS (Da)	1288.5976
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	ALFZBUIMXFZLFM-HEZGMAGOSA-N
InChI	InChI=1S/C61H84N12O19/c1-24(2)41-57(85)72-20-32(74)19-34(72)56(84)68(12)21-37(77)70(14)30(10)52(80)67-45(55(83)64-41)36(76)23-90-60(88)39-40(62)49(79)29(9)51-46(39)63-44-33(17-16-27(7)50(44)92-51)53(81)66-43-31(11)91-61(89)47(26(5)6)71(15)38(78)22-69(13)59(87)48-35(75)18-28(8)73(48)58(86)42(25(3)4)65-54(43)82/h16-17,24-26,28,30-32,34-36,41-43,45,47-48,74-76H,18-23,62H2,1-15H3,(H,64,83)(H,65,82)(H,66,81)(H,67,80)/t28-,30-,31+,32?,34-,35-,36-,41+,42+,43-,45-,47-,48-/m0/s1
SMILES	C[C@H]1C[C@@H]([C@@H]2N1C(=O)[C@H](NC(=O)[C@H]([C@H](OC(=O)[C@@H](N(C(=O)CN(C2=O)C)C)C(C)C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)OC[C@@H]([C@H]6C(=O)N[C@@H](C(=O)N7CC(C[C@H]7C(=O)N(CC(=O)N([C@H](C(=O)N6)C)C)C)O)C(C)C)O)N)C)C(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Bitzer, Jens; Streibel, Martin; Langer, Hans-Jörg; Grond, Stephanie First Y-type actinomycins from Streptomyces with divergent structure-activity relationships for antibacterial and cytotoxic properties Organic & Biomolecular Chemistry 2009 7 (3) 444-450.
DOI	10.1039/b815689a	PMID	19156308

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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