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Compounds

COMPOUND NPA033520

STRUCTURE

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PROPERTIES

NPAID	NPA033520
CLUSTER ID	26
NODE ID	25
NAME	Rc-AIP1
FORMULA	C46H48N8O8S
MOLECULAR WEIGHT (Da)	873.0050
ACCURATE MASS (Da)	872.3316
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Ruminiclostridium
ORIGIN SPECIES	cellulolyticum DSM 5812
InChIKey	VFQZHTKJLXJCSR-QFHAEXCESA-N
InChI	InChI=1S/C46H48N8O8S/c55-24-39-45(61)50-36(19-27-14-16-30(56)17-15-27)42(58)54-40(25-63)46(62)52-37(20-28-22-47-33-12-6-4-10-31(28)33)43(59)49-35(18-26-8-2-1-3-9-26)41(57)51-38(44(60)53-39)21-29-23-48-34-13-7-5-11-32(29)34/h1-17,22-23,35-40,47-48,55-56,63H,18-21,24-25H2,(H,49,59)(H,50,61)(H,51,57)(H,52,62)(H,53,60)(H,54,58)/t35?,36?,37?,38?,39?,40-/m0/s1
SMILES	O=C1NC(CO)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)N[C@@H](CS)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)NC(CC2=CC=CC=C2)C(=O)NC1CC1=C[NH]C2=CC=CC=C12

ORIGINAL ISOLATION REFERENCE

CITATION	Molloy, Evelyn M.; Dell, Maria; Hänsch, Veit G.; Dunbar, Kyle L.; Feldmann, Romy; Oberheide, Ansgar; Seyfarth, Lydia; Kumpfmüller, Jana; Horch, Therese; Arndt, Hans-Dieter; Hertweck, Christian Enzyme-Primed Native Chemical Ligation Produces Autoinducing Cyclopeptides in Clostridia Angewandte Chemie International Edition 2021 60 (19) 10670-10679.
DOI	10.1002/anie.202016378	PMID	33625794

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Firmicutes	LPSN	1239
Class	Clostridia	LPSN	186801
Order	Eubacteriales	LPSN	186802
Family	Oscillospiraceae	LPSN	-
Genus	Ruminiclostridium	LPSN	-

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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