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Compounds

COMPOUND NPA021101

STRUCTURE

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PROPERTIES

NPAID	NPA021101
CLUSTER ID	5135
NODE ID	3676
NAME	Ionomycin
FORMULA	C41H72O9
MOLECULAR WEIGHT (Da)	709.0180
ACCURATE MASS (Da)	708.5176
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	conglobatus sp. nov.
InChIKey	PGHMRUGBZOYCAA-ADZNBVRBSA-N
InChI	InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1
SMILES	C[C@H](CCC(=O)O)C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)\O

ORIGINAL ISOLATION REFERENCE

CITATION	Liu WC; Slusarchyk DS; Astle G; Trejo WH; Brown WE; Meyers E IONOMYCIN, A NEW POLYETHER ANTIBIOTIC Journal of Antibiotics 1978 31 (9) 815-819.
DOI	10.7164/antibiotics.31.815	PMID	711623

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

SYNTHESES

CITATION 1	Lautens M; Colucci JT; Hiebert S; Smith ND; Bouchain G Total synthesis of ionomycin using ring-opening strategies. Organic Letters 2002 4 (11) 1879-82. DOI: 10.1021/ol025872f PMID: 12027637

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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