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Compounds

COMPOUND NPA027381

STRUCTURE

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PROPERTIES

NPAID	NPA027381
CLUSTER ID	26
NODE ID	25
NAME	Portoamide C
FORMULA	C62H96N12O19
MOLECULAR WEIGHT (Da)	1313.5150
ACCURATE MASS (Da)	1312.6915
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Oscillatoria
ORIGIN SPECIES	sp. LEGE 5292
InChIKey	ACFCYNJDAMJVRV-SFBMPHMPSA-N
InChI	InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
SMILES	C/C=C1/NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CC(O)C(O)CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC2=CC=C(OC)C=C2)NC(=O)[C@H]([C@@H](C)O)NC1=O

ORIGINAL ISOLATION REFERENCE

CITATION	Leão PN; Pereira AR; Liu WT; Ng J; Pevzner PA; Dorrestein PC; König GM; Vasconcelos VM; Gerwick WH Synergistic allelochemicals from a freshwater cyanobacterium. Proceedings of the National Academy of Sciences of the United States of America 2010 107 (25) 11183-11188.
DOI	10.1073/pnas.0914343107	PMID	20534563

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Oscillatoriaceae	LPSN	1892254
Genus	Oscillatoria	LPSN	1158

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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