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Compounds

COMPOUND NPA000313

STRUCTURE

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PROPERTIES

NPAID	NPA000313
CLUSTER ID	262
NODE ID	141
NAME	Syringopeptin SP508 A
FORMULA	C104H170N24O27
MOLECULAR WEIGHT (Da)	2188.6450
ACCURATE MASS (Da)	2187.2667
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Pseudomonas
ORIGIN SPECIES	syringae
InChIKey	HHDQRNAQGXUIRL-ZUVLKGGBSA-N
InChI	InChI=1S/C104H170N24O27/c1-24-28-29-30-31-32-33-35-67(131)49-78(132)115-70(27-4)103(153)128-45-34-36-77(128)98(148)126-81(55(13)14)101(151)121-73(46-51(5)6)95(145)111-56(15)83(133)108-60(19)89(139)120-74(47-52(7)8)96(146)125-80(54(11)12)100(150)114-58(17)85(135)109-63(22)90(140)124-79(53(9)10)99(149)113-57(16)84(134)107-59(18)86(136)117-69(26-3)92(142)127-82-64(23)155-104(154)75(48-65-37-39-66(130)40-38-65)122-94(144)72(42-44-106)119-93(143)71(41-43-105)118-88(138)62(21)110-91(141)68(25-2)116-87(137)61(20)112-97(147)76(50-129)123-102(82)152/h25-27,37-40,51-64,67,71-77,79-82,129-131H,24,28-36,41-50,105-106H2,1-23H3,(H,107,134)(H,108,133)(H,109,135)(H,110,141)(H,111,145)(H,112,147)(H,113,149)(H,114,150)(H,115,132)(H,116,137)(H,117,136)(H,118,138)(H,119,143)(H,120,139)(H,121,151)(H,122,144)(H,123,152)(H,124,140)(H,125,146)(H,126,148)(H,127,142)/b68-25-,69-26-,70-27-/t56?,57?,58?,59?,60?,61?,62?,63?,64-,67?,71?,72?,73?,74?,75?,76?,77?,79?,80?,81?,82-/m0/s1
SMILES	CCCCCCCCCC(CC(=O)N/C(=C\C)/C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N/C(=C\C)/C(=O)N[C@H]2[C@@H](OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC2=O)CO)C)C)CCN)CCN)CC3=CC=C(C=C3)O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Grgurina, I.; Bensaci, M.; Pocsfalvi, G.; Mannina, L.; Cruciani, O.; Fiore, A.; Fogliano, V.; Sorensen, K. N.; Takemoto, J. Y. Novel Cyclic Lipodepsipeptide from Pseudomonas syringae pv. lachrymans Strain 508 and Syringopeptin Antimicrobial Activities Antimicrobial Agents and Chemotherapy 2005 49 (12) 5037-5045.
DOI	10.1128/aac.49.12.5037-5045.2005	PMID	16304170

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Pseudomonadales	LPSN	72274
Family	Pseudomonadaceae	LPSN	135621
Genus	Pseudomonas	LPSN	286

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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