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Compounds

COMPOUND NPA027375

STRUCTURE

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PROPERTIES

NPAID	NPA027375
CLUSTER ID	26
NODE ID	25
NAME	Oscillacyclamide A
FORMULA	C87H109N21O22S3
MOLECULAR WEIGHT (Da)	1897.1550
ACCURATE MASS (Da)	1895.7218
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Oscillatoria
ORIGIN SPECIES	sp. PCC 6506
InChIKey	DECBPJPIDHVROG-LEKXQQIESA-N
InChI	InChI=1S/C87H109N21O22S3/c1-41(2)24-26-130-45(8)72-84(129)101-57(29-48-34-91-53-18-12-10-16-51(48)53)74(119)93-36-67(113)96-60(32-69(116)117)86-104-64(39-132-86)82(127)106-70(42(3)4)83(128)107-71(43(5)6)87-105-63(40-133-87)80(125)99-56(28-47-33-90-52-17-11-9-15-50(47)52)73(118)92-35-66(112)95-59(31-68(114)115)77(122)97-54(19-13-14-25-88)75(120)98-55(27-46-20-22-49(110)23-21-46)76(121)94-44(7)85-103-62(38-131-85)81(126)102-61(37-109)79(124)100-58(30-65(89)111)78(123)108-72/h9-12,15-18,20-24,33-34,38-40,42-45,54-61,70-72,90-91,109-110H,13-14,19,25-32,35-37,88H2,1-8H3,(H2,89,111)(H,92,118)(H,93,119)(H,94,121)(H,95,112)(H,96,113)(H,97,122)(H,98,120)(H,99,125)(H,100,124)(H,101,129)(H,102,126)(H,106,127)(H,107,128)(H,108,123)(H,114,115)(H,116,117)/t44-,45-,54+,55+,56-,57+,58+,59+,60+,61+,70+,71+,72+/m0/s1
SMILES	CC(C)=CCO[C@@H](C)[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)C2=CSC(=N2)[C@H](C)NC(=O)[C@@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)C2=CSC(=N2)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)C2=CSC(=N2)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CC2=C[NH]C3=CC=CC=C23)NC1=O

ORIGINAL ISOLATION REFERENCE

CITATION	Alexandru-Crivac CN; Umeobika C; Leikoski N; Jokela J; Rickaby KA; Grilo AM; Sjö P; Plowright AT; Idress M; Siebs E; Nneoyi-Egbe A; Wahlsten M; Sivonen K; Jaspars M; Trembleau L; Fewer DP; Houssen WE Cyclic peptide production using a macrocyclase with enhanced substrate promiscuity and relaxed recognition determinants. Chemical Communications 2017 53 (77) 10656-10659.
DOI	10.1039/c7cc05913b	PMID	28905052

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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