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Compounds

COMPOUND NPA013303

STRUCTURE

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PROPERTIES

NPAID	NPA013303
CLUSTER ID	392
NODE ID	353
NAME	Pretubulysin A
FORMULA	C36H55N5O6S
MOLECULAR WEIGHT (Da)	685.9320
ACCURATE MASS (Da)	685.3873
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cystobacter
ORIGIN SPECIES	sp. SBCb004
InChIKey	OPSFAUGRWOZBRK-HQURSRCASA-N
InChI	InChI=1S/C36H55N5O6S/c1-8-23(4)32(39-34(44)30-11-9-10-18-40(30)6)35(45)41(7)29(22(2)3)16-17-31-38-28(21-48-31)33(43)37-26(19-24(5)36(46)47)20-25-12-14-27(42)15-13-25/h12-15,21-24,26,29-30,32,42H,8-11,16-20H2,1-7H3,(H,37,43)(H,39,44)(H,46,47)/t23-,24-,26+,29+,30+,32-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)N(C)[C@H](CCC1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)C(C)C)NC(=O)[C@H]3CCCCN3C

ORIGINAL ISOLATION REFERENCE

CITATION	Chai, Yi; Pistorius, Dominik; Ullrich, Angelika; Weissman, Kira J; Kazmaier, Uli; Müller, Rolf Discovery of 23 natural tubulysins from Angiococcus disciformis An d48 and Cystobacter SBCb004 Chemistry & Biology 2010 17 (3) 296.
DOI	10.1016/j.chembiol.2010.01.016	PMID	20338521

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Deltaproteobacteria	LPSN	28221
Order	Myxococcales	LPSN	29
Family	Archangiaceae	LPSN	39
Genus	Cystobacter	LPSN	42

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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