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Compounds

COMPOUND NPA024816

STRUCTURE

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PROPERTIES

NPAID	NPA024816
CLUSTER ID	7569
NODE ID	5179
NAME	Bicornutin A1
FORMULA	C34H71N19O5
MOLECULAR WEIGHT (Da)	826.0700
ACCURATE MASS (Da)	825.5886
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Xenorhabdus
ORIGIN SPECIES	budapestensis DSM 16342
InChIKey	YHRZRWLQHQGLJN-VMAPGKTHSA-N
InChI	InChI=1S/C34H71N19O5/c1-20(2)19-25(53-26(54)21(36)9-5-15-46-31(37)38)30(58)52-24(12-8-18-49-34(43)44)29(57)51-23(11-7-17-48-33(41)42)28(56)50-22(10-6-16-47-32(39)40)27(55)45-14-4-3-13-35/h20-25H,3-19,35-36H2,1-2H3,(H,45,55)(H,50,56)(H,51,57)(H,52,58)(H,53,54)(H4,37,38,46)(H4,39,40,47)(H4,41,42,48)(H4,43,44,49)/t21-,22+,23-,24-,25+/m0/s1
SMILES	CC(C)C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCCCCN)NC(=O)[C@H](CCCN=C(N)N)N

ORIGINAL ISOLATION REFERENCE

CITATION	Fuchs SW; Sachs CC; Kegler C; Nollmann FI; Karas M; Bode HB Neutral loss fragmentation pattern based screening for arginine-rich natural products in Xenorhabdus and Photorhabdus. Analytical Chemistry 2012 84 (16) 6948-6955.
DOI	10.1021/ac300372p	PMID	22873683

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Enterobacterales	LPSN	91347
Family	Morganellaceae	LPSN	1903414
Genus	Xenorhabdus	LPSN	626

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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