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Compounds

COMPOUND NPA004778

STRUCTURE

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PROPERTIES

NPAID	NPA004778
CLUSTER ID	2425
NODE ID	1824
NAME	Neoefrapeptin N
FORMULA	C80H135N18O16+
MOLECULAR WEIGHT (Da)	1605.0700
ACCURATE MASS (Da)	1604.0298
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Geotrichum
ORIGIN SPECIES	candidum
InChIKey	VIQJIFLMCJXDOX-VZYCVPBDSA-O
InChI	InChI=1S/C80H134N18O16/c1-48(2)42-52(47-95-38-27-37-94-36-26-31-61(94)95)84-68(109)75(10,11)88-63(104)54(44-50(5)6)85-59(101)45-83-67(108)74(8,9)89-65(106)56-29-22-25-41-98(56)73(114)79(18,19)93-71(112)80(33-34-80)87-60(102)46-82-58(100)32-35-81-62(103)53(43-49(3)4)86-69(110)76(12,13)92-70(111)77(14,15)90-66(107)57-30-21-24-40-97(57)72(113)78(16,17)91-64(105)55-28-20-23-39-96(55)51(7)99/h48-50,52-57H,20-47H2,1-19H3,(H12-,81,82,83,84,85,86,87,88,89,90,91,92,93,100,101,102,103,104,105,106,107,108,109,110,111,112)/p+1/t52-,53-,54-,55-,56-,57?/m0/s1
SMILES	CC(C)C[C@@H](CN1CCC[N+]2=C1CCC2)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H]3CCCCN3C(=O)C(C)(C)NC(=O)C4(CC4)NC(=O)CNC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C5CCCCN5C(=O)C(C)(C)NC(=O)[C@@H]6CCCCN6C(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Fredenhagen, Andreas; Molleyres, Louis-Pierre; Böhlendorf, Bettina; Laue, Grit Structure Determination of Neoefrapeptins A to N: Peptides with Insecticidal Activity Produced by the Fungus Geotrichum candidum Journal of Antibiotics 2006 59 (5) 267-280.
DOI	10.1038/ja.2006.38	PMID	16883776

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Saccharomycetes	MycoBank	4891
Order	Saccharomycetales	MycoBank	4892
Family	Dipodascaceae	MycoBank	34353
Genus	Geotrichum	MycoBank	43987

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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