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Compounds

COMPOUND NPA020038

STRUCTURE

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PROPERTIES

NPAID	NPA020038
CLUSTER ID	6381
NODE ID	4418
NAME	Enduracidin A
FORMULA	C108H140Cl2N26O31
MOLECULAR WEIGHT (Da)	2369.3650
ACCURATE MASS (Da)	2366.9555
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	fungicidicus B-5477
InChIKey	JPYWPHBUMZRLPO-JDCCHMEXSA-N
InChI	InChI=1S/C108H140Cl2N26O31/c1-7-51(2)16-12-10-8-9-11-13-19-77(145)122-75(46-79(147)148)95(155)130-82-55(6)167-105(165)88(60-28-38-68(144)39-29-60)136-90(150)52(3)119-93(153)73(44-62-47-117-106(112)120-62)123-78(146)49-116-97(157)87(61-42-69(109)89(149)70(110)43-61)132-96(156)76(50-137)127-102(162)83(56-20-30-64(140)31-21-56)131-94(154)74(45-63-48-118-107(113)121-63)126-91(151)72(18-15-41-115-108(114)166)124-98(158)80(53(4)138)129-103(163)85(58-24-34-66(142)35-25-58)135-104(164)86(59-26-36-67(143)37-27-59)133-99(159)81(54(5)139)128-92(152)71(17-14-40-111)125-101(161)84(134-100(82)160)57-22-32-65(141)33-23-57/h9,11,13,19-39,42-43,51-55,62-63,71-76,80-88,137-144,149H,7-8,10,12,14-18,40-41,44-50,111H2,1-6H3,(H,116,157)(H,119,153)(H,122,145)(H,123,146)(H,124,158)(H,125,161)(H,126,151)(H,127,162)(H,128,152)(H,129,163)(H,130,155)(H,131,154)(H,132,156)(H,133,159)(H,134,160)(H,135,164)(H,136,150)(H,147,148)(H3,112,117,120)(H3,113,118,121)(H3,114,115,166)/b11-9+,19-13+
SMILES	CCC(C)CCCC/C=C/C=C/C(=O)NC(CC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C2=CC=C(C=C2)O)CCCN)C(C)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)C(C)O)CCCNC(=O)N)CC5CN=C(N5)N)C6=CC=C(C=C6)O)CO)C7=CC(=C(C(=C7)Cl)O)Cl)CC8CN=C(N8)N)C)C9=CC=C(C=C9)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Iwasaki, H.; Horii, S.; Asai, M.; Mizuno, K.; Ueyanagi, J.; Miyake, A. Enduracidin, a New Antibiotic. VIII. Structures of Enduracidins A and B Chemical and Pharmaceutical Bulletin 1973 21 (6) 1184-1191.
DOI	10.1248/cpb.21.1184	PMID	-

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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