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Compounds

COMPOUND NPA031986

STRUCTURE

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PROPERTIES

NPAID	NPA031986
CLUSTER ID	34
NODE ID	33
NAME	Terpenibactin B
FORMULA	C45H71N5O10
MOLECULAR WEIGHT (Da)	842.0880
ACCURATE MASS (Da)	841.5201
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nocardia
ORIGIN SPECIES	terpenica IFM 0406
InChIKey	GYDWJGNTAAWKAR-DAUQQIRWSA-N
InChI	InChI=1S/C45H71N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-39(33(2)41(53)46-36-26-22-24-31-50(58)44(36)55)60-45(56)37(27-21-23-30-49(57)32-51)47-42(54)40-34(3)59-43(48-40)35-25-19-20-28-38(35)52/h16-17,19-20,25,28,32-34,36-37,39-40,52,57-58H,4-15,18,21-24,26-27,29-31H2,1-3H3,(H,46,53)(H,47,54)/b17-16-/t33?,34-,36-,37+,39?,40+/m1/s1
SMILES	CCCCCCCCCCCCC/C=C\CCC(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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