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Compounds

COMPOUND NPA013128

STRUCTURE

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PROPERTIES

NPAID	NPA013128
CLUSTER ID	4865
NODE ID	3279
NAME	Thioholgamide B
FORMULA	C56H85N14O11S6+
MOLECULAR WEIGHT (Da)	1322.7850
ACCURATE MASS (Da)	1321.4841
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	malaysiense strain DSM100712
InChIKey	ZKVMUPABRRWKON-UHFFFAOYSA-O
InChI	InChI=1S/C56H84N14O11S6/c1-27(2)40-51(79)58-29(5)46(74)63-38(24-36-18-16-15-17-19-36)49(77)68-43(44(72)39-25-69(12)26-70(39)13)50(78)57-21-22-86-35(11)42(52(80)65-40)67-47(75)31(7)60-54(83)33(9)62-53(82)32(8)59-45(73)30(6)61-55(84)37(20-23-87(14)81)64-56(85)41(28(3)4)66-48(76)34(10)71/h15-19,21-22,25-33,35,37-38,40-44,72H,20,23-24H2,1-14H3,(H11-,57,58,59,60,61,62,63,64,65,66,67,68,73,74,75,76,77,78,79,80,82,83,84,85)/p+1
SMILES	CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC=CS1)C(C2=C[N+](=CN2C)C)O)CC3=CC=CC=C3)C)C(C)C)NC(=O)C(C)NC(=S)C(C)NC(=S)C(C)NC(=O)C(C)NC(=S)C(CCS(=O)C)NC(=S)C(C(C)C)NC(=O)C(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Kjaerulff L; Sikandar A; Zaburannyi N; Adam S; Herrmann J; Koehnke J; Müller R Thioholgamides: Thioamide-Containing Cytotoxic RiPP Natural Products ACS Chemical Biology 2017 12 (11) 2837-2841.
DOI	10.1021/acschembio.7b00676	PMID	28981254

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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