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Compounds

COMPOUND NPA015994

STRUCTURE

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PROPERTIES

NPAID	NPA015994
CLUSTER ID	392
NODE ID	353
NAME	N-hydroxymethyl12-keto pretubulysin D
FORMULA	C36H53N5O7S
MOLECULAR WEIGHT (Da)	699.9150
ACCURATE MASS (Da)	699.3666
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cystobacter
ORIGIN SPECIES	sp. SBCb004
InChIKey	QFLHIKUPIBOTKU-XXIVNECHSA-N
InChI	InChI=1S/C36H53N5O7S/c1-7-23(4)31(39-34(45)28-15-11-12-16-40(28)6)35(46)41(21-42)32(22(2)3)29(43)19-30-38-27(20-49-30)33(44)37-26(17-24(5)36(47)48)18-25-13-9-8-10-14-25/h8-10,13-14,20,22-24,26,28,31-32,42H,7,11-12,15-19,21H2,1-6H3,(H,37,44)(H,39,45)(H,47,48)/t23-,24-,26+,28+,31-,32-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)N(CO)[C@@H](C(C)C)C(=O)CC1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)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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