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Compounds

COMPOUND NPA009616

STRUCTURE

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PROPERTIES

NPAID	NPA009616
CLUSTER ID	392
NODE ID	353
NAME	Tubulysin C
FORMULA	C41H61N5O10S
MOLECULAR WEIGHT (Da)	816.0310
ACCURATE MASS (Da)	815.4139
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Angiococcus
ORIGIN SPECIES	gephyra
InChIKey	NZCNGJHOIKMMCG-UZRVFEFTSA-N
InChI	InChI=1S/C41H61N5O10S/c1-9-25(5)36(44-38(51)32-13-11-12-18-45(32)8)40(52)46(23-55-35(49)10-2)33(24(3)4)21-34(56-27(7)47)39-43-31(22-57-39)37(50)42-29(19-26(6)41(53)54)20-28-14-16-30(48)17-15-28/h14-17,22,24-26,29,32-34,36,48H,9-13,18-21,23H2,1-8H3,(H,42,50)(H,44,51)(H,53,54)/t25-,26-,29+,32+,33+,34+,36-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC)[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	Angiococcus	LPSN	-

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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