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Compounds

COMPOUND NPA017230

STRUCTURE

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PROPERTIES

NPAID	NPA017230
CLUSTER ID	34
NODE ID	33
NAME	Linear trichrysobactin
FORMULA	C48H65N9O19
MOLECULAR WEIGHT (Da)	1072.0920
ACCURATE MASS (Da)	1071.4397
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Dickeya
ORIGIN SPECIES	chrysanthemi (strain EC16)
InChIKey	YTIOHQGZCPYGOD-OKYIMTKNSA-N
InChI	InChI=1S/C48H65N9O19/c49-19-4-1-13-28(52-40(65)25-10-7-16-34(59)37(25)62)43(68)55-31(22-58)47(73)76-24-33(57-45(70)30(15-3-6-21-51)54-42(67)27-12-9-18-36(61)39(27)64)48(74)75-23-32(46(71)72)56-44(69)29(14-2-5-20-50)53-41(66)26-11-8-17-35(60)38(26)63/h7-12,16-18,28-33,58-64H,1-6,13-15,19-24,49-51H2,(H,52,65)(H,53,66)(H,54,67)(H,55,68)(H,56,69)(H,57,70)(H,71,72)/t28-,29-,30-,31+,32+,33+/m1/s1
SMILES	C1=CC(=C(C(=C1)O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)[C@@H](CCCCN)NC(=O)C3=C(C(=CC=C3)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Sandy, Moriah; Butler, Alison Chrysobactin siderophores produced by Dickeya chrysanthemi ec16 Journal of Natural Products 2011 74 (5) 1207-1212.
DOI	10.1021/np200126z	PMID	21545171

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	Pectobacteriaceae	LPSN	1903410
Genus	Dickeya	LPSN	204037

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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