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Compounds

COMPOUND NPA013505

STRUCTURE

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PROPERTIES

NPAID	NPA013505
CLUSTER ID	26
NODE ID	25
NAME	Micropeptin 88-A
FORMULA	C44H65N7O12
MOLECULAR WEIGHT (Da)	884.0410
ACCURATE MASS (Da)	883.4691
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cyanobacterium
ORIGIN SPECIES	sp.
InChIKey	JTGYNJHWOAUNEK-VFELWICYSA-N
InChI	InChI=1S/C44H65N7O12/c1-7-24(4)35-44(62)63-25(5)36(48-33(53)19-17-29(45)43(60)61)40(57)47-31(21-27-13-15-28(52)16-14-27)38(55)46-30-18-20-34(54)51(41(30)58)37(23(2)3)42(59)50(6)32(39(56)49-35)22-26-11-9-8-10-12-26/h8-13,15,23-25,27-32,34-37,52,54H,7,14,16-22,45H2,1-6H3,(H,46,55)(H,47,57)(H,48,53)(H,49,56)(H,60,61)/t24-,25+,27?,28-,29?,30?,31-,32-,34+,35-,36-,37-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)NC2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)C(C)C)O)CC4CC[C@H](C=C4)O)NC(=O)CCC(C(=O)O)N)C

ORIGINAL ISOLATION REFERENCE

CITATION	Ishida, Keishi; Matsuda, Hisashi; Murakami, Masahiro Micropeptins 88-A to 88-F, chymotrypsin inhibitors from the cyanobacterium Microcystis aeruginosa (NIES-88) Tetrahedron 1998 54 (21) 5545-5556.
DOI	10.1016/s0040-4020(98)00242-7	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Chroococcales	LPSN	1118
Family	Cyanobacteriaceae	LPSN	-
Genus	Cyanobacterium	LPSN	102234

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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