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Compounds

COMPOUND NPA018886

STRUCTURE

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PROPERTIES

NPAID	NPA018886
CLUSTER ID	392
NODE ID	353
NAME	N-desmethyl 12-hydroxy pretubulysinD
FORMULA	C35H53N5O6S
MOLECULAR WEIGHT (Da)	671.9050
ACCURATE MASS (Da)	671.3717
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cystobacter
ORIGIN SPECIES	sp. SBCb004
InChIKey	XXUVTCOCVSDKNZ-AHOUOKPHSA-N
InChI	InChI=1S/C35H53N5O6S/c1-7-22(4)31(39-33(43)27-15-11-12-16-40(27)6)34(44)38-30(21(2)3)28(41)19-29-37-26(20-47-29)32(42)36-25(17-23(5)35(45)46)18-24-13-9-8-10-14-24/h8-10,13-14,20-23,25,27-28,30-31,41H,7,11-12,15-19H2,1-6H3,(H,36,42)(H,38,44)(H,39,43)(H,45,46)/t22-,23-,25+,27+,28+,30-,31-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)N[C@H]([C@@H](CC1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)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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