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Compounds

COMPOUND NPA015465

STRUCTURE

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PROPERTIES

NPAID	NPA015465
CLUSTER ID	164
NODE ID	155
NAME	Actinomycin Y3
FORMULA	C61H82N12O19
MOLECULAR WEIGHT (Da)	1287.3920
ACCURATE MASS (Da)	1286.5819
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. strain G√∂-GS12
InChIKey	HHHOVQLWSQVAOE-RXQWQQRBSA-N
InChI	InChI=1S/C61H82N12O19/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/h16-17,24-26,28,30-31,34-36,41-43,45,47-48,75-76H,18-23,62H2,1-15H3,(H,64,83)(H,65,82)(H,66,81)(H,67,80)/t28-,30-,31+,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(=O)C[C@H]7C(=O)N(CC(=O)N([C@H](C(=O)N6)C)C)C)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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