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Compounds

COMPOUND NPA022776

STRUCTURE

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PROPERTIES

NPAID	NPA022776
CLUSTER ID	26
NODE ID	25
NAME	Dinghupeptin D
FORMULA	C49H67N9O14
MOLECULAR WEIGHT (Da)	1006.1240
ACCURATE MASS (Da)	1005.4807
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. SC0581
InChIKey	HCNWTASKWLYYJZ-TTYFGDPKSA-N
InChI	InChI=1S/C49H67N9O14/c1-7-27(2)42(63)53-33(17-20-38(50)61)43(64)56-41-29(4)72-49(70)28(3)52-45(66)37(26-31-13-15-32(60)16-14-31)57(5)47(68)35(25-30-11-9-8-10-12-30)55-44(65)36-19-22-40(71-6)58(36)48(69)34(54-46(41)67)18-21-39(62)51-23-24-59/h7-16,28-29,33-37,40-41,59-60H,17-26H2,1-6H3,(H2,50,61)(H,51,62)(H,52,66)(H,53,63)(H,54,67)(H,55,65)(H,56,64)/b27-7+/t28-,29+,33-,34-,35-,36-,37-,40+,41-/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]2CC[C@H](N2C(=O)[C@@H](NC1=O)CCC(=O)NCCO)OC)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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