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Compounds

COMPOUND NPA024388

STRUCTURE

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PROPERTIES

NPAID	NPA024388
CLUSTER ID	1582
NODE ID	1298
NAME	Crochelin C
FORMULA	C38H69N9O14
MOLECULAR WEIGHT (Da)	876.0190
ACCURATE MASS (Da)	875.4964
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Unknown-bacterium
ORIGIN SPECIES	sp.
InChIKey	XMAXAJIATPVYAX-NLTPFZDQSA-N
InChI	InChI=1S/C38H69N9O14/c1-2-3-4-5-6-7-8-9-10-15-30(52)42-27(22-48)29(51)21-31(53)43-28(23-49)36(57)46-32(33(54)38(59)60)37(58)45-26(16-18-40)35(56)44-25(14-13-20-47(61)24-50)34(55)41-19-12-11-17-39/h7-8,24-29,32-33,48-49,51,54,61H,2-6,9-23,39-40H2,1H3,(H,41,55)(H,42,52)(H,43,53)(H,44,56)(H,45,58)(H,46,57)(H,59,60)/t25-,26-,27?,28-,29?,32-,33+/m0/s1
SMILES	CCCCCCC=CCCCC(=O)NC(CO)C(CC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C(=O)O)O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCN(C=O)O)C(=O)NCCCCN)O

ORIGINAL ISOLATION REFERENCE

CITATION	Baars, Oliver; Zhang, Xinning; Gibson, Marcus I.; Stone, Alan T.; Morel, François M. M.; Seyedsayamdost, Mohammad R. Crochelins: Siderophores with an Unprecedented Iron-Chelating Moiety from the Nitrogen-Fixing Bacterium Azotobacter chroococcum Angewandte Chemie International Edition 2018 57 (2) 536-541.
DOI	10.1002/anie.201709720	PMID	29134779

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Genus	Unknown-bacterium	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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