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Compounds

COMPOUND NPA020219

STRUCTURE

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PROPERTIES

NPAID	NPA020219
CLUSTER ID	6088
NODE ID	143
NAME	Mohangamide A
FORMULA	C107H139N17O26
MOLECULAR WEIGHT (Da)	2079.3820
ACCURATE MASS (Da)	2078.0077
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp.
InChIKey	NFKJWNZPLBEZNG-BMVAUADASA-N
InChI	InChI=1S/C107H139N17O26/c1-13-15-19-31-70-32-25-26-33-71(70)39-45-88(133)119-92-64(9)149-106(147)82(58-125)117-96(137)80(55-86(108)131)115-102(143)90(62(7)127)121-99(140)79(52-67-29-23-18-24-30-67)112-95(136)77(50-61(5)6)114-101(142)85(54-69-37-43-75(130)44-38-69)124(12)105(146)93(120-89(134)46-40-72-47-48-110-57-73(72)34-20-16-14-2)65(10)150-107(148)83(59-126)118-97(138)81(56-87(109)132)116-103(144)91(63(8)128)122-98(139)78(51-66-27-21-17-22-28-66)111-94(135)76(49-60(3)4)113-100(141)84(123(11)104(92)145)53-68-35-41-74(129)42-36-68/h17-45,47-48,53-54,60-65,73,76-83,90-93,110,125-130H,13-16,46,49-52,55-59H2,1-12H3,(H2,108,131)(H2,109,132)(H,111,135)(H,112,136)(H,113,141)(H,114,142)(H,115,143)(H,116,144)(H,117,137)(H,118,138)(H,119,133)(H,120,134)(H,121,140)(H,122,139)/b31-19-,34-20-,45-39+,72-40-,84-53+,85-54+/t62-,63-,64+,65+,73+,76-,77-,78+,79+,80-,81-,82-,83-,90-,91-,92-,93-/m0/s1
SMILES	CCC/C=C\[C@@H]\1CNC=C/C1=C/CC(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C\C3=CC=C(C=C3)O)/N(C(=O)[C@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)/C(=C\C4=CC=C(C=C4)O)/N(C2=O)C)CC(C)C)CC5=CC=CC=C5)[C@H](C)O)CC(=O)N)CO)C)NC(=O)/C=C/C6=CC=CC=C6/C=C\CCC)C)CC(C)C)CC7=CC=CC=C7)[C@H](C)O)CC(=O)N)CO)C

ORIGINAL ISOLATION REFERENCE

CITATION	Bae, Munhyung; Kim, Heegyu; Moon, Kyuho; Nam, Sang-Jip; Shin, Jongheon; Oh, Ki-Bong; Oh, Dong-Chan Mohangamides A and B, new dilactone-tethered pseudo-dimeric peptides inhibiting candida albicans isocitrate lyase Organic Letters 2015 17 (3) 712-715.
DOI	10.1021/ol5037248	PMID	25622093

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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