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Compounds

COMPOUND NPA004711

STRUCTURE

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PROPERTIES

NPAID	NPA004711
CLUSTER ID	166
NODE ID	157
NAME	Actinomycin Y5
FORMULA	C61H80N12O18
MOLECULAR WEIGHT (Da)	1269.3770
ACCURATE MASS (Da)	1268.5714
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	AEIHQKDZICOEDE-JLBKHAGDSA-N
InChI	InChI=1S/C61H80N12O18/c1-24(2)40-57(84)72-21-32(74)19-34(72)56(83)68(12)22-37(76)70(14)30(10)60(87)90-36-20-62-45-39(53(80)67-44(36)55(82)64-40)46-51(29(9)49(45)78)91-50-27(7)16-17-33(43(50)63-46)52(79)66-42-31(11)89-61(88)47(26(5)6)71(15)38(77)23-69(13)59(86)48-35(75)18-28(8)73(48)58(85)41(25(3)4)65-54(42)81/h16-17,24-26,28,30-31,34-36,40-42,44,47-48,62,75H,18-23H2,1-15H3,(H,64,82)(H,65,81)(H,66,79)(H,67,80)/t28-,30-,31+,34-,35-,36+,40+,41+,42-,44-,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)C6=C(C5=N4)C(=O)N[C@H]7[C@@H](CN6)OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]8CC(=O)CN8C(=O)[C@H](NC7=O)C(C)C)C)C)C)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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