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Compounds

COMPOUND NPA027608

STRUCTURE

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PROPERTIES

NPAID	NPA027608
CLUSTER ID	26
NODE ID	25
NAME	Loggerpeptin C
FORMULA	C50H70N8O12
MOLECULAR WEIGHT (Da)	975.1540
ACCURATE MASS (Da)	974.5113
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Leptolyngbya
ORIGIN SPECIES	sp.
InChIKey	ROIGLVLBYBHXSI-DWEIPXDCSA-N
InChI	InChI=1S/C50H70N8O12/c1-10-15-39(60)51-29(7)43(62)52-34(11-2)44(63)56-42-30(8)70-50(69)41(28(5)6)55-46(65)37(25-32-18-20-33(59)21-19-32)57(9)49(68)38(26-31-16-13-12-14-17-31)58-40(61)23-22-35(48(58)67)53-45(64)36(24-27(3)4)54-47(42)66/h11-14,16-21,27-30,35-38,40-42,59,61H,10,15,22-26H2,1-9H3,(H,51,60)(H,52,62)(H,53,64)(H,54,66)(H,55,65)(H,56,63)/b34-11-/t29-,30+,35-,36-,37-,38-,40+,41-,42-/m0/s1
SMILES	C/C=C(\NC(=O)[C@H](C)NC(=O)CCC)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C

ORIGINAL ISOLATION REFERENCE

CITATION	Al-Awadhi FH; Paul VJ; Luesch H Structural Diversity and Anticancer Activity of Marine-Derived Elastase Inhibitors: Key Features and Mechanisms Mediating the Antimetastatic Effects in Invasive Breast Cancer. ChemBioChem 2018 19 (8) 815-825.
DOI	10.1002/cbic.201700627	PMID	29405541

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Synechococcales	LPSN	1890424
Family	Leptolyngbyaceae	LPSN	1890438
Genus	Leptolyngbya	LPSN	47251

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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