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Compounds

COMPOUND NPA005026

STRUCTURE

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PROPERTIES

NPAID	NPA005026
CLUSTER ID	392
NODE ID	353
NAME	Desacetyltubulysin D
FORMULA	C41H63N5O8S
MOLECULAR WEIGHT (Da)	786.0490
ACCURATE MASS (Da)	785.4397
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Cystobacter
ORIGIN SPECIES	sp. SBCb004
InChIKey	JHIJPLFWJXRAEW-PWFOTUCGSA-N
InChI	InChI=1S/C41H63N5O8S/c1-9-27(6)36(44-38(50)32-17-13-14-18-45(32)8)40(51)46(24-54-35(48)19-25(2)3)33(26(4)5)22-34(47)39-43-31(23-55-39)37(49)42-30(20-28(7)41(52)53)21-29-15-11-10-12-16-29/h10-12,15-16,23,25-28,30,32-34,36,47H,9,13-14,17-22,24H2,1-8H3,(H,42,49)(H,44,50)(H,52,53)/t27-,28-,30+,32+,33+,34+,36-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[C@H](C[C@H](C1=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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