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Compounds

COMPOUND NPA028578

STRUCTURE

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PROPERTIES

NPAID	NPA028578
CLUSTER ID	7274
NODE ID	4986
NAME	Incarnatapeptin A
FORMULA	C35H58N8O12
MOLECULAR WEIGHT (Da)	782.8930
ACCURATE MASS (Da)	782.4174
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	BRARBDOBDCKGGD-WOBSXSHDSA-N
InChI	InChI=1S/C35H58N8O12/c1-18(2)27(44)26(39-33(51)34(6,52)35-14-13-22(20(4)54-35)21(5)55-35)31(48)41-24(11-8-16-37-41)30(47)43(53)19(3)28(45)40-23(10-7-15-36-40)29(46)42-25(32(49)50)12-9-17-38-42/h18-27,36-38,44,52-53H,7-17H2,1-6H3,(H,39,51)(H,49,50)/t19-,20+,21+,22?,23+,24+,25-,26-,27-,34+,35?/m0/s1
SMILES	CC(C)[C@H](O)[C@H](NC(=O)[C@@](C)(O)C12CCC([C@@H](C)O1)[C@@H](C)O2)C(=O)N1NCCC[C@@H]1C(=O)N(O)[C@@H](C)C(=O)N1NCCC[C@@H]1C(=O)N1NCCC[C@H]1C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Morgan KD; Williams DE; Patrick BO; Remigy M; Banuelos CA; Sadar MD; Ryan KS; Andersen RJ Incarnatapeptins A and B, Nonribosomal Peptides Discovered Using Genome Mining and 1H/15N HSQC-TOCSY. Organic Letters 2020 22 (11) 4053-4057.
DOI	10.1021/acs.orglett.0c00818	PMID	32283033

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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