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Compounds

COMPOUND NPA031985

STRUCTURE

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PROPERTIES

NPAID	NPA031985
CLUSTER ID	34
NODE ID	33
NAME	Terpenibactin A
FORMULA	C43H69N5O10
MOLECULAR WEIGHT (Da)	816.0500
ACCURATE MASS (Da)	815.5044
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nocardia
ORIGIN SPECIES	terpenica IFM 0406
InChIKey	CKICSSGVOUYIAL-HEITYGFHSA-N
InChI	InChI=1S/C43H69N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27-37(31(2)39(51)44-34-24-20-22-29-48(56)42(34)53)58-43(54)35(25-19-21-28-47(55)30-49)45-40(52)38-32(3)57-41(46-38)33-23-17-18-26-36(33)50/h17-18,23,26,30-32,34-35,37-38,50,55-56H,4-16,19-22,24-25,27-29H2,1-3H3,(H,44,51)(H,45,52)/t31?,32-,34-,35+,37?,38+/m1/s1
SMILES	CCCCCCCCCCCCCCCC(OC(=O)[C@H](CCCCN(O)C=O)NC(=O)[C@H]1N=C(C2=CC=CC=C2O)O[C@@H]1C)C(C)C(=O)N[C@@H]1CCCCN(O)C1=O

ORIGINAL ISOLATION REFERENCE

CITATION	Chen, Julia; Frediansyah, Andri; Männle, Daniel; Straetener, Jan; Brötz-Oesterhelt, Heike; Ziemert, Nadine; Kaysser, Leonard; Gross, Harald New Nocobactin Derivatives with Antimuscarinic Activity, Terpenibactins A-C, Revealed by Genome Mining of Nocardia terpenica IFM 0406. ChemBioChem 2020 21 (15) 2205-2213.
DOI	10.1002/cbic.202000062	PMID	32196864

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Corynebacteriales	LPSN	85007
Family	Nocardiaceae	LPSN	85025
Genus	Nocardia	LPSN	1817

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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