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Compounds

COMPOUND NPA020309

STRUCTURE

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PROPERTIES

NPAID	NPA020309
CLUSTER ID	6433
NODE ID	4447
NAME	Corpeptin A
FORMULA	C98H163N23O27
MOLECULAR WEIGHT (Da)	2095.5160
ACCURATE MASS (Da)	2094.2089
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Pseudomonas
ORIGIN SPECIES	corrugata
InChIKey	FKHKGFPKDCFJTR-OLOWBZJQSA-N
InChI	InChI=1S/C98H163N23O27/c1-26-32-33-34-35-37-61(124)44-69(125)108-64(31-6)97(146)121-42-36-38-68(121)90(139)105-55(20)80(129)101-54(19)79(128)104-59(24)84(133)115-72(48(11)12)93(142)117-71(47(9)10)92(141)109-62(29-4)85(134)112-66(40-43-122)88(137)116-73(49(13)14)94(143)118-74(50(15)27-2)95(144)106-56(21)81(130)102-52(17)77(126)100-53(18)78(127)103-58(23)83(132)114-70(46(7)8)91(140)110-63(30-5)86(135)120-76-60(25)148-98(147)75(51(16)28-3)119-89(138)67(45-123)113-87(136)65(39-41-99)111-82(131)57(22)107-96(76)145/h29-31,46-55,57-61,65-68,70-76,122-124H,21,26-28,32-45,99H2,1-20,22-25H3,(H,100,126)(H,101,129)(H,102,130)(H,103,127)(H,104,128)(H,105,139)(H,106,144)(H,107,145)(H,108,125)(H,109,141)(H,110,140)(H,111,131)(H,112,134)(H,113,136)(H,114,132)(H,115,133)(H,116,137)(H,117,142)(H,118,143)(H,119,138)(H,120,135)/b62-29-,63-30-,64-31-/t50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61?,65+,66+,67+,68+,70+,71+,72+,73+,74+,75+,76+/m1/s1
SMILES	CCCCCCCC(CC(=N/C(=C\C)/C(=O)N1CCC[C@H]1C(=N[C@@H](C)C(=N[C@@H](C)C(=N[C@@H](C)C(=N[C@@H](C(C)C)C(=N[C@@H](C(C)C)C(=N/C(=C\C)/C(=N[C@@H](CCO)C(=N[C@@H](C(C)C)C(=N[C@@H]([C@H](C)CC)C(=NC(=C)C(=N[C@@H](C)C(=N[C@@H](C)C(=N[C@@H](C)C(=N[C@@H](C(C)C)C(=N/C(=C\C)/C(=N[C@H]2[C@@H](OC(=O)[C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C2O)C)O)CCN)O)CO)O)[C@@H](C)CC)C)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Emanuele, MC; Scaloni, A; Lavermicocca, P; Jacobellis, NS; Camoni, L. Di Giorgio, D; Pucci; P. Pacci; M. Segre, A; Ballio, A Corceptins, new bioactive lipodepsipeptides from cultures of Pseudomonas corrugata FEBS Letters 1998 433 (3) 317-320.
DOI	10.1016/S0014-5793(98)00933-8	PMID	-

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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