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Compounds

COMPOUND NPA022812

STRUCTURE

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PROPERTIES

NPAID	NPA022812
CLUSTER ID	6990
NODE ID	4813
NAME	Calothrixamide B
FORMULA	C29H54N2O4
MOLECULAR WEIGHT (Da)	494.7610
ACCURATE MASS (Da)	494.4084
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Calothrix
ORIGIN SPECIES	sp. UIC 10520
InChIKey	WQPQQBBVOYDVPX-VBDFEYIOSA-N
InChI	InChI=1S/C29H54N2O4/c1-6-7-8-14-19-24(3)27(35-29(30)34)21-15-12-10-9-11-13-17-23(2)18-16-20-25(4)28(33)31-26(5)22-32/h16,18,20,23-24,26-27,32H,6-15,17,19,21-22H2,1-5H3,(H2,30,34)(H,31,33)/b18-16-,25-20+/t23-,24+,26+,27-/m1/s1
SMILES	CCCCCC[C@H](C)[C@@H](CCCCCCCC[C@@H](C)/C=C\C=C(/C)\C(=O)N[C@@H](C)CO)OC(=O)N

ORIGINAL ISOLATION REFERENCE

CITATION	Crnkovic, Camila M.; Krunic, Aleksej; May, Daniel S.; Wilson, Tyler A.; Kao, Diana; Burdette, Joanna E.; Fuchs, James R.; Oberlies, Nicholas H.; Orjala, Jimmy Calothrixamides A and B from the Cultured Cyanobacterium Calothrix sp. UIC 10520 Journal of Natural Products 2018 81 (9) 2083-2090.
DOI	10.1021/acs.jnatprod.8b00432	PMID	30192537

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Calotrichaceae	LPSN	2661849
Genus	Calothrix	LPSN	1186

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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