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Compounds

COMPOUND NPA022775

STRUCTURE

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PROPERTIES

NPAID	NPA022775
CLUSTER ID	26
NODE ID	25
NAME	Dinghupeptin C
FORMULA	C48H65N9O13
MOLECULAR WEIGHT (Da)	976.0980
ACCURATE MASS (Da)	975.4702
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. SC0581
InChIKey	UQTUSZDBRXRPQR-ITMWRFERSA-N
InChI	InChI=1S/C48H65N9O13/c1-6-27(2)41(62)52-33(18-20-38(49)60)42(63)55-40-29(4)70-48(69)28(3)51-44(65)37(26-31-14-16-32(59)17-15-31)56(5)46(67)35(25-30-11-8-7-9-12-30)54-43(64)36-13-10-23-57(36)47(68)34(53-45(40)66)19-21-39(61)50-22-24-58/h6-9,11-12,14-17,28-29,33-37,40,58-59H,10,13,18-26H2,1-5H3,(H2,49,60)(H,50,61)(H,51,65)(H,52,62)(H,53,66)(H,54,64)(H,55,63)/b27-6+/t28-,29+,33-,34-,35-,36-,37-,40-/m0/s1
SMILES	C/C=C(\C)/C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)CCC(=O)NCCO)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Yang, Li; Li, Hanxiang; Wu, Ping; Mahal, Ahmed; Xue, Jinghua; Xu, Liangxiong; Wei, Xiaoyi Dinghupeptins A-D, Chymotrypsin Inhibitory Cyclodepsipeptides Produced by a Soil-Derived Streptomyces Journal of Natural Products 2018 81 (9) 1928-1936.
DOI	10.1021/acs.jnatprod.7b01009	PMID	30222343

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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