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Compounds

COMPOUND NPA011260

STRUCTURE

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PROPERTIES

NPAID	NPA011260
CLUSTER ID	392
NODE ID	353
NAME	Tubulysin I
FORMULA	C40H59N5O10S
MOLECULAR WEIGHT (Da)	802.0040
ACCURATE MASS (Da)	801.3983
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Archangium
ORIGIN SPECIES	gephyra
InChIKey	ADNHOQYEDVQAGD-XYFJCUIBSA-N
InChI	InChI=1S/C40H59N5O10S/c1-9-24(4)35(43-37(50)32-12-10-11-17-44(32)8)39(51)45(22-54-26(6)46)33(23(2)3)20-34(55-27(7)47)38-42-31(21-56-38)36(49)41-29(18-25(5)40(52)53)19-28-13-15-30(48)16-14-28/h13-16,21,23-25,29,32-35,48H,9-12,17-20,22H2,1-8H3,(H,41,49)(H,43,50)(H,52,53)/t24-,25-,29+,32+,33+,34+,35-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)N(COC(=O)C)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C

ORIGINAL ISOLATION REFERENCE

CITATION	Steinmetz, Heinrich; Glaser, Nicole; Herdtweck, Eberhardt; Sasse, Florenz; Reichenbach, Hans; Höfle, Gerhard Isolation, crystal and solution structure determination, and biosynthesis of tubulysins-powerful inhibitors of tubulin polymerization from myxobacteria Angewandte Chemie International Edition 2004 43 (37) 4888-4892.
DOI	10.1002/anie.200460147	PMID	15372566

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	Archangium	LPSN	47

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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