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Compounds

COMPOUND NPA008780

STRUCTURE

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PROPERTIES

NPAID	NPA008780
CLUSTER ID	164
NODE ID	155
NAME	Actinomycin G6
FORMULA	C61H84N12O18
MOLECULAR WEIGHT (Da)	1273.4090
ACCURATE MASS (Da)	1272.6027
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	iakyrus DSM 41873
InChIKey	KTDUETWVXTYQEE-AWOIIBEVSA-N
InChI	InChI=1S/C61H84N12O18/c1-25(2)41-57(84)72-20-16-17-34(72)56(83)68(12)22-37(76)70(14)31(10)52(79)67-45(55(82)64-41)36(75)24-89-60(87)39-40(62)49(78)30(9)51-46(39)63-44-33(19-18-28(7)50(44)91-51)53(80)66-43-32(11)90-61(88)47(27(5)6)71(15)38(77)23-69(13)59(86)48-35(74)21-29(8)73(48)58(85)42(26(3)4)65-54(43)81/h18-19,25-27,29,31-32,34-36,41-43,45,47-48,74-75H,16-17,20-24,62H2,1-15H3,(H,64,82)(H,65,81)(H,66,80)(H,67,79)/t29-,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)N7CCC[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; Gesheva, Victoria; Zeeck, Axel Actinomycins with altered threonine units in the β-peptidolactone Journal of Natural Products 2006 69 (8) 1153-1157.
DOI	10.1021/np060063g	PMID	16933866

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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